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ethyl 3-{[4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}propanoate
SpectraBase Compound ID 3cKaplqmOmf
InChI InChI=1S/C14H13F3N2O2S2/c1-2-21-12(20)5-7-23-13-18-9(10-4-3-6-22-10)8-11(19-13)14(15,16)17/h3-4,6,8H,2,5,7H2,1H3
InChIKey HFLYAVURUOTEDT-UHFFFAOYSA-N
Mol Weight 362.39 g/mol
Molecular Formula C14H13F3N2O2S2
Exact Mass 362.037055 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 95BbmiVHOxw
Name ethyl 3-{[4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}propanoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C14H13F3N2O2S2/c1-2-21-12(20)5-7-23-13-18-9(10-4-3-6-22-10)8-11(19-13)14(15,16)17/h3-4,6,8H,2,5,7H2,1H3
InChIKey HFLYAVURUOTEDT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7547
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/1008857; UBI_ID: UBI-007550
Temperature 308 °C