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[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid

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[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
SpectraBase Compound ID 7fffSxTOIJ
InChI InChI=1S/C7H7F3N2O2/c1-4-2-5(7(8,9)10)11-12(4)3-6(13)14/h2H,3H2,1H3,(H,13,14)
InChIKey RBHQAIFXLJIFFM-UHFFFAOYSA-N
Mol Weight 208.14 g/mol
Molecular Formula C7H7F3N2O2
Exact Mass 208.045962 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 522ypYJdTmM
Name 1H-pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-
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/C7H7F3N2O2/c1-4-2-5(7(8,9)10)11-12(4)3-6(13)14/h2H,3H2,1H3,(H,13,14)
InChIKey RBHQAIFXLJIFFM-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_5959
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: NMR/11318335