Este archivo ha sido creado el 10-02-2024 por M.ª Violante de Paz Báñez GENERAL INFORMATION ------------------ 1. Dataset title: Spectra and GPC Data for Polyhydroxyurethanes Formation from Bis(cyclic carbonate) Monomers in Multicomponent Semi-IPN Hydrogels Fabrication [Dataset] 2. Authorship: Name Ana-I. Carbajo-Gordillo Institution Dpto. Química Orgánica y Farmacéutica, Universidad de Sevilla email ana_iscg@hotmail.com ORCID 0000-0001-5230-6077 Name Elena Benito* Institution Dpto. Química Orgánica y Farmacéutica, Universidad de Sevilla email ebenito@us.es ORCID 0000-0002-8796-6873 Name Elsa Galbis Institution Dpto. Química Orgánica y Farmacéutica, Universidad de Sevilla email elsa@us.es ORCID   0000-0001-8521-2835 Name Roberto Grosso Institution Dpto. Química Orgánica y Farmacéutica, Universidad de Sevilla email rgb1406@hotmail.com ORCID 000-0003-4304-6124 Name Nieves Iglesias Institution Dpto. Química Orgánica y Farmacéutica, Universidad de Sevilla email nievesigbl@gmail.com ORCID 0000-0003-0201-883X Name M.-Gracia García-Martín Institution Dpto. Química Orgánica y Farmacéutica, Universidad de Sevilla email graciagm@us.es ORCID 0000-0002-7171-5236 Name M.-Violante de-Paz* Institution Dpto. Química Orgánica y Farmacéutica, Universidad de Sevilla email vdepaz@us.es ORCID 0000-0002-6544-4732 DESCRIPTION ---------- 1. Dataset language: English 2. Abstract: NMR, ATR-FTIR and Mass Spectra of small molecules and monomers: {1-[3,5-bis(trifluoromethyl)phenyl]-3-cyclohexylthiourea} (TU) Pages [6-13] 1H NMR, COSY, 13C NMR, HSQC, ATR-FTIR, ESI-MS 3-(Prop-2-yn-1-ylthio)-propane-1,2-diol (1) Pages [14-20] 1H NMR, COSY, 13C NMR, HSQC, ATR-FTIR, ESI-MS, ESI-HRMS 4-[(Prop-2-yn-1-ylthio)methyl]-1,3-dioxolan-2-one (2) Pages [21-27] 1H NMR, COSY, 13C NMR, HSQC, ATR-FTIR, ESI-MS, ESI-HRMS Five-membered bis(cylic carbonate) (Monomer A) Pages [28-38] 1H NMR, COSY, 13C NMR, HSQC, ATR-FTIR, ESI-HRMS Five-membered bis(cylic carbonate) (Monomer E) Pages [39-45] 1H NMR, COSY, 13C NMR, HSQC, ATR-FTIR, ESI-MS, ESI-HRMS NMR, ATR-FTIR spectra and GPC chromatograms of polymers: PHU A-DETA [monomer A + diethylenetriamine (DETA)] Pages [47-72] 1H NMR, COSY, HSQC, ATR-FTIR, GPC (samples P2, P4-P20) PHU E-DETA [monomer E + diethylenetriamine (DETA)] Pages [73-81] 1H NMR, 13C NMR, ATR-FTIR, GPC (samples P1-P5) PHU E-HMDA [monomer E + hexamethylenediamine (HMDA)] Pages [82-90] 1H NMR, 13C NMR, ATR-FTIR, GPC (samples P1-P5) 3. Keywords: Cyclic carbonates, monomers, polyhydroxyurethanes, PHU, aminolysis, NIPU, non-isocyanate polyurethanes 4. Date of data collection: 10-02-2024 5. Publication Date: 20-02-2024 6. Grant information: Grant Agency: Ministerio de Ciencia e Innovación - Agencia Estatal de Investigación (MCIN/AEI) Grant Number: PID2020-115916GB-I00; Grant Agency: Fondo Europeo de Desarrollo Regional (FEDER), and La Consejería de Economía y Conocimiento (Junta de Andalucía) Grant Number: US-1380587. ACCESS INFORMATION ------------------------ 1. Creative Commons License of the dataset: CC-BY 2. Dataset DOI: https://doi.org/10.12795/11441/155361 3. Related publication: 4. Link to related datasets: DOI/URL: VERSIONING AND PROVENANCE --------------- 1. Last modification date: [Recomendable si es aplicable | Formato DD-MM-YYYY] 2. Were data derived from another source?: [Obligatorio si es aplicable | Responder Sí o No; si es que Sí, cite la fuente siguiendo el estilo estándar de su disciplina.] 3. Additional related data not included in this dataset: [Opcional] METHODOLOGICAL INFORMATION ----------------------- Nuclear Magnetic Resonance (NMR) spectra were collected at 300 K using either a Bruker Advance AVIII-500 MHz or a Bruker AV NEO500 MHz instrument at CITIUS, Universidad de Sevilla. Chemical shifts (δ) are expressed in parts per million (ppm) relative to Me4Si. Mass spectrometry data were acquired using either an IRMS Thermo Scientific Delta V Plus instrument or a Thermo Scientific Orbitrap Elite instrument at CITIUS, Universidad de Sevilla. FTIR spectra were recorded on a Jasco FT/IR 4200 spectrometer equipped with ATR. Gel permeation chromatography (GPC) was performed on most samples using Waters equipment in Milford, MA, USA, equipped with a refractive-index detector 2414 maintained at 40 °C. The mobile phase consisted of N,N-dimethylformamide (DMF) with LiBr (5.8 mM solution). Sample preparation involved dissolving approximately 5 mg of the sample in 2.0 mL of HPLC-grade DMF, followed by filtration (0.22 μm) and duplicate injection of the stock solution. Samples (100 μL of 0.1% (w/v) solution) were injected and chromatographed at a flow rate of 1 mL·min−1. HR3 and HR4 Waters Styragel columns (7.8 × 300 mm) were connected in series and protected with a guard column, thermostated at 60 °C. Molar mass averages and their distributions were determined relative to polystyrene standards. FILE OVERVIEW ---------------------- 1. File name:240215 DATA NIPU-IPN repositorio US.ES.pdf 2. File format: PDF