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3-Methyl-2-[(nonafluorobutyl)sulfonyl]-3-phenylcyclopentanone
SpectraBase Compound ID 8EMLvNu13RN
InChI InChI=1S/C16H13F9O3S/c1-12(9-5-3-2-4-6-9)8-7-10(26)11(12)29(27,28)16(24,25)14(19,20)13(17,18)15(21,22)23/h2-6,11H,7-8H2,1H3
InChIKey IQFWPYSBGXCLCO-UHFFFAOYSA-N
Mol Weight 456.32 g/mol
Molecular Formula C16H13F9O3S
Exact Mass 456.044169 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVgAuYFCVy
Name 3-Methyl-2-[(nonafluorobutyl)sulfonyl]-3-phenylcyclopentanone
Alternate Name(s) 3-Methyl-2-[(nonafluorobutyl)sulfonyl]-3-phenylcyclopentan-1-one 3-Methyl-2-[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]-3-phenylcyclopentanone
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Formula C16H13F9O3S
InChI InChI=1S/C16H13F9O3S/c1-12(9-5-3-2-4-6-9)8-7-10(26)11(12)29(27,28)16(24,25)14(19,20)13(17,18)15(21,22)23/h2-6,11H,7-8H2,1H3
InChIKey IQFWPYSBGXCLCO-UHFFFAOYSA-N
Molecular Weight 456.323 g/mol
SMILES C1(C(C(CC1)(c1ccccc1)C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)=O
SPLASH splash10-0079-3940000000-d5f2f3ccc05439642d5a
Source of Spectrum H-85-492-30
Wiley ID 1523941