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3-({[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)benzoic acid
SpectraBase Compound ID GPGM9k1qwS5
InChI InChI=1S/C19H13F3N2O2S/c20-19(21,22)16-10-15(13-6-2-1-3-7-13)23-18(24-16)27-11-12-5-4-8-14(9-12)17(25)26/h1-10H,11H2,(H,25,26)
InChIKey JNPARUPFJBRJAO-UHFFFAOYSA-N
Mol Weight 390.38 g/mol
Molecular Formula C19H13F3N2O2S
Exact Mass 390.064983 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KLh9b3l9TOC
Name 3-({[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)benzoic acid
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/C19H13F3N2O2S/c20-19(21,22)16-10-15(13-6-2-1-3-7-13)23-18(24-16)27-11-12-5-4-8-14(9-12)17(25)26/h1-10H,11H2,(H,25,26)
InChIKey JNPARUPFJBRJAO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8186
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: D33058; Labnumber: SPUL-1571; SBI_ID: SBI-008189
Temperature 308 °C