(2E)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-(1-naphthyl)-2-propenoic acid

SpectraBase Compound ID	IGq7pNC6BRx
InChI	InChI=1S/C16H13N3O2S/c1-10-17-16(19-18-10)22-14(15(20)21)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-9H,1H3,(H,20,21)(H,17,18,19)/b14-9+
InChIKey	IXBUWKCTHLLDIG-NTEUORMPSA-N Google Search
Mol Weight	311.36 g/mol
Molecular Formula	C16H13N3O2S
Exact Mass	311.072848 g/mol

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SpectraBase Spectrum ID	Df66xesnnT1
Name	(2E)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-(1-naphthyl)-2-propenoic 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/C16H13N3O2S/c1-10-17-16(19-18-10)22-14(15(20)21)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-9H,1H3,(H,20,21)(H,17,18,19)/b14-9+
InChIKey	IXBUWKCTHLLDIG-NTEUORMPSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_29060
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: D90903; Labnumber: SPDEM5-39343; SBI_ID: SBI-029064
Synonyms	2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-(1-naphthyl)-2-propenoic acid
Temperature	308 °C