3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid

SpectraBase Compound ID	1lWMunj8fv4
InChI	InChI=1S/C11H8ClN3O4/c12-9-6-14(13-10(9)15(18)19)5-7-2-1-3-8(4-7)11(16)17/h1-4,6H,5H2,(H,16,17)
InChIKey	WRLCQPPOOLUGKO-UHFFFAOYSA-N Google Search
Mol Weight	281.65 g/mol
Molecular Formula	C11H8ClN3O4
Exact Mass	281.020333 g/mol

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SpectraBase Spectrum ID	LxPUKi9NE47
Name	3-[(4-chloro-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/C11H8ClN3O4/c12-9-6-14(13-10(9)15(18)19)5-7-2-1-3-8(4-7)11(16)17/h1-4,6H,5H2,(H,16,17)
InChIKey	WRLCQPPOOLUGKO-UHFFFAOYSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_1675
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/9098772; Labnumber: AK-968/0000032; UZI_ID: UZI-001677
Temperature	308 °C