methyl 2-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoate

SpectraBase Compound ID	HMj3Mx7bHPl
InChI	InChI=1S/C12H12N4O3S/c1-19-11(18)8-4-2-3-5-9(8)15-10(17)6-20-12-13-7-14-16-12/h2-5,7H,6H2,1H3,(H,15,17)(H,13,14,16)
InChIKey	MRYHYHRSJQIPFM-UHFFFAOYSA-N Google Search
Mol Weight	292.31 g/mol
Molecular Formula	C12H12N4O3S
Exact Mass	292.063011 g/mol

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SpectraBase Spectrum ID	FoS6Kw0kFD2
Name	methyl 2-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoate
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C12H12N4O3S/c1-19-11(18)8-4-2-3-5-9(8)15-10(17)6-20-12-13-7-14-16-12/h2-5,7H,6H2,1H3,(H,15,17)(H,13,14,16)
InChIKey	MRYHYHRSJQIPFM-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_29068
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: D90917; Labnumber: SPDEM5-39851; SBI_ID: SBI-029072
Temperature	308 °C