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Methyl 3-(5-trifluoromethyl-1H-pyrazol-3-yl)propanoate
SpectraBase Compound ID 3JJyihkSMNj
InChI InChI=1S/C8H9F3N2O2/c1-15-7(14)3-2-5-4-6(13-12-5)8(9,10)11/h4H,2-3H2,1H3,(H,12,13)
InChIKey XBCAEERJWMTIDX-UHFFFAOYSA-N
Mol Weight 222.17 g/mol
Molecular Formula C8H9F3N2O2
Exact Mass 222.061612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YxeRAePBV8
Name Methyl 3-(5-trifluoromethyl-1H-pyrazol-3-yl)propanoate
Alternate Name(s) Methyl 3-(5-(trifluoromethyl)-1H-pyrazol-3-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9F3N2O2
InChI InChI=1S/C8H9F3N2O2/c1-15-7(14)3-2-5-4-6(13-12-5)8(9,10)11/h4H,2-3H2,1H3,(H,12,13)
InChIKey XBCAEERJWMTIDX-UHFFFAOYSA-N
Molecular Weight 222.167 g/mol
SMILES [nH]1c(cc(n1)CCC(=O)OC)C(F)(F)F
SPLASH splash10-03di-0910000000-fde7368fd905d77c093a
Source of Spectrum Y-51-738-8b
Wiley ID 1741340