(5-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1H-tetraazol-1-yl)acetic acid

SpectraBase Compound ID	AGyqozTZO5t
InChI	InChI=1S/C11H10N6O5S/c18-9(12-7-2-1-3-8(4-7)17(21)22)6-23-11-13-14-15-16(11)5-10(19)20/h1-4H,5-6H2,(H,12,18)(H,19,20)
InChIKey	MSAOEBBRWVUSTE-UHFFFAOYSA-N Google Search
Mol Weight	338.3 g/mol
Molecular Formula	C11H10N6O5S
Exact Mass	338.043339 g/mol

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SpectraBase Spectrum ID	Dnnsoc1TGMF
Name	1H-tetrazole-1-acetic acid, 5-[[2-[(3-nitrophenyl)amino]-2-oxoethyl]thio]-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	338.043338615 u
Formula	C11H10N6O5S
InChI	InChI=1S/C11H10N6O5S/c18-9(12-7-2-1-3-8(4-7)17(21)22)6-23-11-13-14-15-16(11)5-10(19)20/h1-4H,5-6H2,(H,12,18)(H,19,20)
InChIKey	MSAOEBBRWVUSTE-UHFFFAOYSA-N
Molecular Weight	338.298 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_17474
Solvent	DMSO-d6
Source	Vendor ID: NMR/11211843; Lab Info: LP; Lab Number: LP-3701323