5-[2'-(Methoxycarbonyl)-1'-(phenylamino)-1'-propenyl]-1,3,4-triphenyl-1,2,4-triazolium-Chloride

SpectraBase Compound ID	8NLOKwboYxg
InChI	InChI=1S/C31H26N4O2.ClH/c1-23(31(36)37-2)28(32-25-17-9-4-10-18-25)30-34(26-19-11-5-12-20-26)29(24-15-7-3-8-16-24)33-35(30)27-21-13-6-14-22-27;/h3-22H,1-2H3;1H
InChIKey	JJKWAHYRSLNGCV-UHFFFAOYSA-N Google Search
Mol Weight	523.04 g/mol
Molecular Formula	C31H27ClN4O2
Exact Mass	522.182254 g/mol

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SpectraBase Spectrum ID	DKLPRAwLLvW
Name	5-[2'-(Methoxycarbonyl)-1'-(phenylamino)-1'-propenyl]-1,3,4-triphenyl-1,2,4-triazolium-Chloride
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H27ClN4O2
InChI	InChI=1S/C31H26N4O2.ClH/c1-23(31(36)37-2)28(32-25-17-9-4-10-18-25)30-34(26-19-11-5-12-20-26)29(24-15-7-3-8-16-24)33-35(30)27-21-13-6-14-22-27;/h3-22H,1-2H3;1H
InChIKey	JJKWAHYRSLNGCV-UHFFFAOYSA-N
Molecular Weight	523.036 g/mol
SMILES	[Cl-].N(\C(c1[n+](nc(-c2ccccc2)[n]1-c1ccccc1)-c1ccccc1)=C\(C(=O)OC)C)c1ccccc1
SPLASH	splash10-0007-0950000000-61c1627bae801752ab33
Source of Spectrum	F5-7-5017-5a
Synonyms	(E)-3-anilino-2-methyl-3-(2,4,5-triphenyl-1,2,4-triazol-4-ium-3-yl)-2-propenoic acid methyl ester;chloride Methyl (E)-3-anilino-2-methyl-3-(2,4,5-triphenyl-1,2,4-triazol-4-ium-3-yl)prop-2-enoate;chloride Methyl (E)-2-methyl-3-phenylazanyl-3-(2,4,5-triphenyl-1,2,4-triazol-4-ium-3-yl)prop-2-enoate;chloride
Wiley ID	1702330