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4-({[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)benzoic acid
SpectraBase Compound ID HBtxCt2iZiK
InChI InChI=1S/C19H13F3N2O2S/c20-19(21,22)16-10-15(13-4-2-1-3-5-13)23-18(24-16)27-11-12-6-8-14(9-7-12)17(25)26/h1-10H,11H2,(H,25,26)
InChIKey AJJAKJHOJWRKSX-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 9wqNcvd4gOl
Name 4-({[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(13-4-2-1-3-5-13)23-18(24-16)27-11-12-6-8-14(9-7-12)17(25)26/h1-10H,11H2,(H,25,26)
InChIKey AJJAKJHOJWRKSX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7351
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: D29124; Labnumber: SPUL-1572; SBI_ID: SBI-007354
Temperature 308 °C