benzoic acid, 3-[[3-[(3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-yl)methyl]-5-mercapto-4H-1,2,4-triazol-4-yl]methyl]-

SpectraBase Compound ID	5RdtgK58uBj
InChI	InChI=1S/C22H23N3O3S/c1-22(2)9-8-16-10-14(6-7-18(16)28-22)12-19-23-24-21(29)25(19)13-15-4-3-5-17(11-15)20(26)27/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,24,29)(H,26,27)
InChIKey	JMUQQALRDMZMLJ-UHFFFAOYSA-N Google Search
Mol Weight	409.5 g/mol
Molecular Formula	C22H23N3O3S
Exact Mass	409.146013 g/mol

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SpectraBase Spectrum ID	KeQW4gVS3Fr
Name	benzoic acid, 3-[[3-[(3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-yl)methyl]-5-mercapto-4H-1,2,4-triazol-4-yl]methyl]-
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/C22H23N3O3S/c1-22(2)9-8-16-10-14(6-7-18(16)28-22)12-19-23-24-21(29)25(19)13-15-4-3-5-17(11-15)20(26)27/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,24,29)(H,26,27)
InChIKey	JMUQQALRDMZMLJ-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_6963
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/18277178; Labnumber: OBK-8542