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Pentafluoropropionic acid
SpectraBase Compound ID JSNx6EfxlY2
InChI InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
InChIKey LRMSQVBRUNSOJL-UHFFFAOYSA-N
Mol Weight 164.031 g/mol
Molecular Formula C3HF5O2
Exact Mass 163.98967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eoG7XoErvf
Name Pentafluoropropionic acid
Classification Chemical Derivat. agent
Comments Original RI info: <1000*
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Exact Mass 163.989670085 u
Formula C3HF5O2
InChI InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
InChIKey LRMSQVBRUNSOJL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 164.031 g/mol
SMILES C(C(O)=O)(F)(C(F)(F)F)F
SPLASH splash10-0gb9-9700000000-135cd8c1db6c15f29cf3
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_5543