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3-Methoxy-4,4,4-trifluoro-2-butenoic acid-carboxyl-18O
SpectraBase Compound ID LPE56MF1X34
InChI InChI=1S/C5H5F3O3/c1-11-3(2-4(9)10)5(6,7)8/h2H,1H3,(H,9,10)/b3-2-/i9+2
InChIKey YFVYIKAWJQTDFE-JUJLPUQBSA-N
Mol Weight 172.09 g/mol
Molecular Formula C5H5F3O218O
Exact Mass 172.023324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EERtTnq0it
Name 3-Methoxy-4,4,4-trifluoro-2-butenoic acid-carboxyl-18O
Comments Original formula: C5H5F3O2[18O]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5F3O3
InChI InChI=1S/C5H5F3O3/c1-11-3(2-4(9)10)5(6,7)8/h2H,1H3,(H,9,10)/b3-2-/i9+2
InChIKey YFVYIKAWJQTDFE-JUJLPUQBSA-N
Molecular Weight 172.087 g/mol
SMILES OC(\C=C\(C(F)(F)F)OC)=[18O]
SPLASH splash10-00kf-8900000000-90e2d1fd329a6c591060
Source of Spectrum HU-7-4-0
Wiley ID 1166082