benzoic acid, 4-[5-[(2-ethoxy-2-oxoethyl)thio]-1H-tetrazol-1-yl]-, 2-[(3-nitrophenyl)amino]-2-oxoethyl ester

SpectraBase Compound ID	GWgtJYjUbcJ
InChI	InChI=1S/C20H18N6O7S/c1-2-32-18(28)12-34-20-22-23-24-25(20)15-8-6-13(7-9-15)19(29)33-11-17(27)21-14-4-3-5-16(10-14)26(30)31/h3-10H,2,11-12H2,1H3,(H,21,27)
InChIKey	MRXGYYIGNFGBNQ-UHFFFAOYSA-N Google Search
Mol Weight	486.46 g/mol
Molecular Formula	C20H18N6O7S
Exact Mass	486.095768 g/mol

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SpectraBase Spectrum ID	KGk0uDXwFPn
Name	2-(3-nitroanilino)-2-oxoethyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-tetraazol-1-yl}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/C20H18N6O7S/c1-2-32-18(28)12-34-20-22-23-24-25(20)15-8-6-13(7-9-15)19(29)33-11-17(27)21-14-4-3-5-16(10-14)26(30)31/h3-10H,2,11-12H2,1H3,(H,21,27)
InChIKey	MRXGYYIGNFGBNQ-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_2819
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: D04871; Labnumber: MVERET-0907; SBI_ID: SBI-002821
Temperature	318 °C