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6-Methyl-1,1-difluoro-3-[(4'-methylphenyl)sulfinyl]hept-5-en-2-one
SpectraBase Compound ID I1z4zyvy9BR
InChI InChI=1S/C15H18F2O2S/c1-10(2)4-9-13(14(18)15(16)17)20(19)12-7-5-11(3)6-8-12/h4-8,13,15H,9H2,1-3H3
InChIKey GSFPETNLTBGHQX-UHFFFAOYSA-N
Mol Weight 300.36 g/mol
Molecular Formula C15H18F2O2S
Exact Mass 300.099557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABv9uo6IDxC
Name 6-Methyl-1,1-difluoro-3-[(4'-methylphenyl)sulfinyl]hept-5-en-2-one
Alternate Name(s) 1,1-Difluoro-6-methyl-3-[(4-methylphenyl)sulfinyl]-5-hepten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18F2O2S
InChI InChI=1S/C15H18F2O2S/c1-10(2)4-9-13(14(18)15(16)17)20(19)12-7-5-11(3)6-8-12/h4-8,13,15H,9H2,1-3H3
InChIKey GSFPETNLTBGHQX-UHFFFAOYSA-N
Molecular Weight 300.364 g/mol
SMILES C(C(C(CC=C(C)C)S(=O)c1ccc(cc1)C)=O)(F)F
SPLASH splash10-000f-8900000000-ad73dc984733baac4359
Source of Spectrum U1-1999-121-3
Wiley ID 752271