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2-Benzyl-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-non-1-en-3-one
SpectraBase Compound ID KyDiax6ljAR
InChI InChI=1S/C16H9F13O/c1-8(7-9-5-3-2-4-6-9)10(30)11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h2-6H,1,7H2
InChIKey QYDSTMSCPDCZMV-UHFFFAOYSA-N
Mol Weight 464.23 g/mol
Molecular Formula C16H9F13O
Exact Mass 464.044581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OGVs3AqAYS
Name 2-Benzyl-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-non-1-en-3-one
Alternate Name(s) 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-(phenylmethyl)-1-nonen-3-one 2-benzyl-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-1-en-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H9F13O
InChI InChI=1S/C16H9F13O/c1-8(7-9-5-3-2-4-6-9)10(30)11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h2-6H,1,7H2
InChIKey QYDSTMSCPDCZMV-UHFFFAOYSA-N
Molecular Weight 464.226 g/mol
SMILES C(C(C(C(C(Cc1ccccc1)=C)=O)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-0002-0900300000-742e524844306880b7f4
Source of Spectrum U1-2010-7014-2d
Wiley ID 1664735