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

SpectraBase Compound ID	9LYigfFbyHX
InChI	InChI=1S/C21H16N2O3S/c1-26-16-9-7-14(8-10-16)17-11-19(15-5-3-2-4-6-15)23-21(18(17)12-22)27-13-20(24)25/h2-11H,13H2,1H3,(H,24,25)
InChIKey	LBQWBYYTMGYKKS-UHFFFAOYSA-N Google Search
Mol Weight	376.43 g/mol
Molecular Formula	C21H16N2O3S
Exact Mass	376.088164 g/mol

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SpectraBase Spectrum ID	EHsb43CUTX9
Name	{[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl}acetic 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/C21H16N2O3S/c1-26-16-9-7-14(8-10-16)17-11-19(15-5-3-2-4-6-15)23-21(18(17)12-22)27-13-20(24)25/h2-11H,13H2,1H3,(H,24,25)
InChIKey	LBQWBYYTMGYKKS-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_417
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: /VSVE61576; UBI_ID: UBI-000418
Temperature	318 °C