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1H-Pyrazole-3-carboxylic acid, 5-fluoro-4-(trifluoromethyl)-
SpectraBase Compound ID 99qlCsJpM3w
InChI InChI=1S/C5H2F4N2O2/c6-3-1(5(7,8)9)2(4(12)13)10-11-3/h(H,10,11)(H,12,13)
InChIKey CKLCVVPGAGSKHR-UHFFFAOYSA-N
Mol Weight 198.08 g/mol
Molecular Formula C5H2F4N2O2
Exact Mass 198.00524 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGF4RhFQ4zi
Name 1H-Pyrazole-3-carboxylic acid, 5-fluoro-4-(trifluoromethyl)-
Alternate Name(s) 3(5)-fluoro-4-(trifluoromethyl)pyrazole-5(3)-carboxylic acid 5-Fluoro-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
CAS Registry Number 83196-44-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H2F4N2O2
InChI InChI=1S/C5H2F4N2O2/c6-3-1(5(7,8)9)2(4(12)13)10-11-3/h(H,10,11)(H,12,13)
InChIKey CKLCVVPGAGSKHR-UHFFFAOYSA-N
Molecular Weight 198.077 g/mol
SMILES [nH]1nc(C(=O)O)c(C(F)(F)F)c1F
SPLASH splash10-000t-0900000000-e0ef94638648153f1375
Source of Spectrum KC-1982-1598-0
Wiley ID 1194766