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

SpectraBase Compound ID	8gLU8a6nvhx
InChI	InChI=1S/C22H19N3O2S/c1-15(21(26)27)28-22-24-23-20(25(22)18-11-3-2-4-12-18)14-17-10-7-9-16-8-5-6-13-19(16)17/h2-13,15H,14H2,1H3,(H,26,27)
InChIKey	PHFGYRUSSNJJHT-UHFFFAOYSA-N Google Search
Mol Weight	389.47 g/mol
Molecular Formula	C22H19N3O2S
Exact Mass	389.119798 g/mol

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SpectraBase Spectrum ID	8TcgbAus13W
Name	2-{[5-(1-naphthylmethyl)-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/C22H19N3O2S/c1-15(21(26)27)28-22-24-23-20(25(22)18-11-3-2-4-12-18)14-17-10-7-9-16-8-5-6-13-19(16)17/h2-13,15H,14H2,1H3,(H,26,27)
InChIKey	PHFGYRUSSNJJHT-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_ASIOH_7529_1165
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: NMR/9215853; Labnumber: LP-2190227
Temperature	303 °C