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4,4,5,5,6,6,7,7,7-Nonafluoro-1-phenyl-hept-1-yn-3-one
SpectraBase Compound ID BWwRR7RPLXt
InChI InChI=1S/C13H5F9O/c14-10(15,11(16,17)12(18,19)13(20,21)22)9(23)7-6-8-4-2-1-3-5-8/h1-5H
InChIKey OECWEAJWJRPTFQ-UHFFFAOYSA-N
Mol Weight 348.17 g/mol
Molecular Formula C13H5F9O
Exact Mass 348.019668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dUR76dvLEc
Name 4,4,5,5,6,6,7,7,7-Nonafluoro-1-phenyl-hept-1-yn-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H5F9O
InChI InChI=1S/C13H5F9O/c14-10(15,11(16,17)12(18,19)13(20,21)22)9(23)7-6-8-4-2-1-3-5-8/h1-5H
InChIKey OECWEAJWJRPTFQ-UHFFFAOYSA-N
Molecular Weight 348.168 g/mol
SMILES C(C(C(F)(F)F)(F)F)(C(C(C#Cc1ccccc1)=O)(F)F)(F)F
SPLASH splash10-004i-0900000000-0bd9cd7c3cd6fb444dc7
Source of Spectrum U1-2010-7016-2g
Synonyms 4,4,5,5,6,6,7,7,7-nonafluoro-1-phenyl-1-heptyn-3-one 4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylhept-1-yn-3-one
Wiley ID 1664733