3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid

SpectraBase Compound ID	KRqNcGvRph3
InChI	InChI=1S/C12H11N3O4/c1-8-5-11(15(18)19)13-14(8)7-9-3-2-4-10(6-9)12(16)17/h2-6H,7H2,1H3,(H,16,17)
InChIKey	IDBOQHVHOATSKD-UHFFFAOYSA-N Google Search
Mol Weight	261.24 g/mol
Molecular Formula	C12H11N3O4
Exact Mass	261.074956 g/mol

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SpectraBase Spectrum ID	93xmsRJ3FiK
Name	3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
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/C12H11N3O4/c1-8-5-11(15(18)19)13-14(8)7-9-3-2-4-10(6-9)12(16)17/h2-6H,7H2,1H3,(H,16,17)
InChIKey	IDBOQHVHOATSKD-UHFFFAOYSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_320
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: UZI/6211655; UBI_ID: UBI-000321
Temperature	308 °C