2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid

SpectraBase Compound ID	BBkGEX1Ql1u
InChI	InChI=1S/C19H15N3O3S/c1-12(18(23)24)26-19-21-20-17(22(19)14-8-3-2-4-9-14)16-11-13-7-5-6-10-15(13)25-16/h2-12H,1H3,(H,23,24)
InChIKey	HEAYNQCRWKRREM-UHFFFAOYSA-N Google Search
Mol Weight	365.41 g/mol
Molecular Formula	C19H15N3O3S
Exact Mass	365.083413 g/mol

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SpectraBase Spectrum ID	FKQCyiHxlM1
Name	2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic 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/C19H15N3O3S/c1-12(18(23)24)26-19-21-20-17(22(19)14-8-3-2-4-9-14)16-11-13-7-5-6-10-15(13)25-16/h2-12H,1H3,(H,23,24)
InChIKey	HEAYNQCRWKRREM-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_35236
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: E85131; SBI_ID: SBI-035240
Temperature	298 °C