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{[4-(2-Chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl}acetic acid

View entire compound with spectra: 2 NMR

{[4-(2-Chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl}acetic acid
SpectraBase Compound ID 5XNjnS4HG1a
InChI InChI=1S/C20H13ClN2O2S/c21-17-9-5-4-8-14(17)15-10-18(13-6-2-1-3-7-13)23-20(16(15)11-22)26-12-19(24)25/h1-10H,12H2,(H,24,25)
InChIKey GIYLHXNWLKDARK-UHFFFAOYSA-N
Mol Weight 380.85 g/mol
Molecular Formula C20H13ClN2O2S
Exact Mass 380.038627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ueVh9mHTrL
Name {[4-(2-Chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl}acetic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.038626539 u
Formula C20H13ClN2O2S
InChI InChI=1S/C20H13ClN2O2S/c21-17-9-5-4-8-14(17)15-10-18(13-6-2-1-3-7-13)23-20(16(15)11-22)26-12-19(24)25/h1-10H,12H2,(H,24,25)
InChIKey GIYLHXNWLKDARK-UHFFFAOYSA-N
Molecular Weight 380.849 g/mol
SMILES OC(CSC=1C(=C(C=C(N1)C=1C=CC=CC1)C=1C(Cl)=CC=CC1)C#N)=O