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Butanal, 3,3,4,4,4-pentafluoro-2-methyl-
SpectraBase Compound ID 3lJ3nw09hoy
InChI InChI=1S/C5H5F5O/c1-3(2-11)4(6,7)5(8,9)10/h2-3H,1H3
InChIKey DKHFPSFEJWWBMM-UHFFFAOYSA-N
Mol Weight 176.09 g/mol
Molecular Formula C5H5F5O
Exact Mass 176.026056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUTT7IqOOBi
Name Butanal, 3,3,4,4,4-pentafluoro-2-methyl-
CAS Registry Number 111160-49-7
Comments Removed - expert review: contamination (acetone))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5F5O
InChI InChI=1S/C5H5F5O/c1-3(2-11)4(6,7)5(8,9)10/h2-3H,1H3
InChIKey DKHFPSFEJWWBMM-UHFFFAOYSA-N
Molecular Weight 176.086 g/mol
SMILES C(C(F)(F)F)(C(C=O)C)(F)F
SPLASH splash10-0a4i-9000000000-41aed9ec5260aa7abc3f
Source of Spectrum C-109-7719-0
Synonyms 3,3,4,4,4-pentafluoro-2-methylbutanal 3,3,4,4,4-pentafluoro-2-methyl-butanal 3,3,4,4,4-pentakis(fluoranyl)-2-methyl-butanal
Wiley ID 1171798