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(E)-4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-methyl-1-phenyl-non-1-en-3-one
SpectraBase Compound ID D8GjYQmdWh3
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/h2-7H,1H3/b8-7+
InChIKey NSBYTAUJKNHLIG-BQYQJAHWSA-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 GouCSBQVjwd
Name (E)-4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-methyl-1-phenyl-non-1-en-3-one
Alternate Name(s) (E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methyl-1-phenyl-1-nonen-3-one (E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methyl-1-phenylnon-1-en-3-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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/h2-7H,1H3/b8-7+
InChIKey NSBYTAUJKNHLIG-BQYQJAHWSA-N
Molecular Weight 464.226 g/mol
SMILES C(C(C(C(\C(=C\c1ccccc1)C)=O)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-014i-0900200000-95224786b2a5c4f59577
Source of Spectrum U1-2010-7014-2b
Wiley ID 1664737