propanedioic acid, 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]-, diethyl ester

SpectraBase Compound ID	IP0FWn0IS0C
InChI	InChI=1S/C25H21BrN2O4S/c1-3-31-24(29)22(25(30)32-4-2)33-23-20(15-27)19(16-8-6-5-7-9-16)14-21(28-23)17-10-12-18(26)13-11-17/h5-14,22H,3-4H2,1-2H3
InChIKey	HHFNBVVEPGMQMD-UHFFFAOYSA-N Google Search
Mol Weight	525.42 g/mol
Molecular Formula	C25H21BrN2O4S
Exact Mass	524.040541 g/mol

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SpectraBase Spectrum ID	Iak4HTwXhit
Name	propanedioic acid, 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]-, diethyl ester
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/C25H21BrN2O4S/c1-3-31-24(29)22(25(30)32-4-2)33-23-20(15-27)19(16-8-6-5-7-9-16)14-21(28-23)17-10-12-18(26)13-11-17/h5-14,22H,3-4H2,1-2H3
InChIKey	HHFNBVVEPGMQMD-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_3388
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: TSH-5513