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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWq9qPT2Mcl
Name [5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
CAS Registry Number 345637-71-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7F3N2O2
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
Molecular Weight 208.140 g/mol
SMILES OC(C[n]1nc(cc1C)C(F)(F)F)=O
SPLASH splash10-03di-4910000000-b1657bcb5c7aa2d9c1df
Source of Spectrum AD-0-2532-0
Synonyms 2-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]acetic acid 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoic acid Acetic acid, 2-(3-trifluoromethyl-5-methyl-1-pyrazolyl)-
Wiley ID 1433929