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

SpectraBase Compound ID	DlUkNh9j2Ac
InChI	InChI=1S/C27H19BrN2O2S/c28-22-13-11-20(12-14-22)23-15-25(21-9-5-2-6-10-21)30-27(24(23)16-29)33-18-26(31)32-17-19-7-3-1-4-8-19/h1-15H,17-18H2
InChIKey	GHPLPOGOUWPUED-UHFFFAOYSA-N Google Search
Mol Weight	515.43 g/mol
Molecular Formula	C27H19BrN2O2S
Exact Mass	514.035062 g/mol

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SpectraBase Spectrum ID	9MJoaTbVqM9
Name	Acetic acid, [[4-(4-bromophenyl)-3-cyano-6-phenyl-2-pyridinyl]thio]-, phenylmethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	514.035062032 u
Formula	C27H19BrN2O2S
InChI	InChI=1S/C27H19BrN2O2S/c28-22-13-11-20(12-14-22)23-15-25(21-9-5-2-6-10-21)30-27(24(23)16-29)33-18-26(31)32-17-19-7-3-1-4-8-19/h1-15H,17-18H2
InChIKey	GHPLPOGOUWPUED-UHFFFAOYSA-N
Molecular Weight	515.425 g/mol
SMILES	C1(=C(N=C(C=C1C=1C=CC(=CC1)Br)C=1C=CC=CC1)SCC(=O)OCC=1C=CC=CC1)C#N