methyl 4-({[5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate

SpectraBase Compound ID	8cRlZRVqPN0
InChI	InChI=1S/C21H17N3O3S/c1-26-20(25)16-11-9-15(10-12-16)14-28-21-23-22-19(18-8-5-13-27-18)24(21)17-6-3-2-4-7-17/h2-13H,14H2,1H3
InChIKey	NWFJQNHXVXVASS-UHFFFAOYSA-N Google Search
Mol Weight	391.45 g/mol
Molecular Formula	C21H17N3O3S
Exact Mass	391.099063 g/mol

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SpectraBase Spectrum ID	1Ov2ZRd2uyp
Name	methyl 4-({[5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
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/C21H17N3O3S/c1-26-20(25)16-11-9-15(10-12-16)14-28-21-23-22-19(18-8-5-13-27-18)24(21)17-6-3-2-4-7-17/h2-13H,14H2,1H3
InChIKey	NWFJQNHXVXVASS-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6599
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/11261459; Labnumber: LP-2111114; IOH_ID: IOH-006600