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6-Methyl-1,1-difluoro-3-[(4'-methylphenyl)sulfinyl]hept-5-en-2-yl benzoate
SpectraBase Compound ID IDnetodnE1l
InChI InChI=1S/C22H24F2O3S/c1-15(2)9-14-19(28(26)18-12-10-16(3)11-13-18)20(21(23)24)27-22(25)17-7-5-4-6-8-17/h4-13,19-21H,14H2,1-3H3
InChIKey FYYYEWOMCAQPCC-UHFFFAOYSA-N
Mol Weight 406.49 g/mol
Molecular Formula C22H24F2O3S
Exact Mass 406.141422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EAcFsDE2A7
Name 6-Methyl-1,1-difluoro-3-[(4'-methylphenyl)sulfinyl]hept-5-en-2-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24F2O3S
InChI InChI=1S/C22H24F2O3S/c1-15(2)9-14-19(28(26)18-12-10-16(3)11-13-18)20(21(23)24)27-22(25)17-7-5-4-6-8-17/h4-13,19-21H,14H2,1-3H3
InChIKey FYYYEWOMCAQPCC-UHFFFAOYSA-N
Molecular Weight 406.488 g/mol
SMILES C(c1ccccc1)(=O)OC(C(F)F)C(CC=C(C)C)S(=O)c1ccc(cc1)C
SPLASH splash10-066s-0790100000-d3e0d24ed4051976258a
Source of Spectrum U1-1999-121-7
Synonyms 1-(difluoromethyl)-5-methyl-2-[(4-methylphenyl)sulfinyl]-4-hexenyl benzoate
Wiley ID 752263