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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
Mol Weight 264.71 g/mol
Molecular Formula C13H13ClN2O2
Exact Mass 264.066555 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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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