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1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
SpectraBase Compound ID Kb5IhoxhBk2
InChI InChI=1S/C6H5F3N2O2/c1-11-4(6(7,8)9)2-3(10-11)5(12)13/h2H,1H3,(H,12,13)
InChIKey QMIUBFUPVMQMRE-UHFFFAOYSA-N
Mol Weight 194.11 g/mol
Molecular Formula C6H5F3N2O2
Exact Mass 194.030312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EubFfB1DkRh
Name 1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
Alternate Name(s) 1H-Pyrazole-3-carboxylic acid, 1-methyl-5-(trifluoromethyl)- 1-Methyl-5-(trifluoromethyl)-3-pyrazolecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5F3N2O2
InChI InChI=1S/C6H5F3N2O2/c1-11-4(6(7,8)9)2-3(10-11)5(12)13/h2H,1H3,(H,12,13)
InChIKey QMIUBFUPVMQMRE-UHFFFAOYSA-N
Molecular Weight 194.113 g/mol
SMILES OC(c1cc([n](n1)C)C(F)(F)F)=O
SPLASH splash10-005c-9500000000-791d66cd1b7251a6229b
Source of Spectrum IY-2-4893-5
Wiley ID 1656918