4-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid

SpectraBase Compound ID	KTyiwxvcp4d
InChI	InChI=1S/C13H13ClN2O2/c1-8-12(14)9(2)16(15-8)7-10-3-5-11(6-4-10)13(17)18/h3-6H,7H2,1-2H3,(H,17,18)
InChIKey	XVELFNFMFLZCEM-UHFFFAOYSA-N Google Search
Mol Weight	264.71 g/mol
Molecular Formula	C13H13ClN2O2
Exact Mass	264.066555 g/mol

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SpectraBase Spectrum ID	lySsmkIjxP
Name	4-[(4-chloro-3,5-dimethyl-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/C13H13ClN2O2/c1-8-12(14)9(2)16(15-8)7-10-3-5-11(6-4-10)13(17)18/h3-6H,7H2,1-2H3,(H,17,18)
InChIKey	XVELFNFMFLZCEM-UHFFFAOYSA-N
NMR Offset	16.0772
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_9875
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/9061828; UBI_ID: UBI-009878
Temperature	308 °C