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E/Z 3-[Difluoro(phenylsulfanyl)methyl]-3-(4-tolylpent-4-enyl)isobenzofuran-1(3H)-one
SpectraBase Compound ID Jlw6Oy5HHcZ
InChI InChI=1S/C27H24F2O2S/c1-20-15-17-21(18-16-20)10-4-3-9-19-26(24-14-8-7-13-23(24)25(30)31-26)27(28,29)32-22-11-5-2-6-12-22/h2,4-8,10-18H,3,9,19H2,1H3/b10-4+
InChIKey QZBUEXZEMBFYEZ-ONNFQVAWSA-N
Mol Weight 450.54 g/mol
Molecular Formula C27H24F2O2S
Exact Mass 450.146508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EAqcvz4xGqd
Name E/Z 3-[Difluoro(phenylsulfanyl)methyl]-3-(4-tolylpent-4-enyl)isobenzofuran-1(3H)-one
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Formula C27H24F2O2S
InChI InChI=1S/C27H24F2O2S/c1-20-15-17-21(18-16-20)10-4-3-9-19-26(24-14-8-7-13-23(24)25(30)31-26)27(28,29)32-22-11-5-2-6-12-22/h2,4-8,10-18H,3,9,19H2,1H3/b10-4+
InChIKey QZBUEXZEMBFYEZ-ONNFQVAWSA-N
Molecular Weight 450.544 g/mol
SMILES C1(C(Sc2ccccc2)(F)F)(OC(=O)c2c1cccc2)CCC\C=C\c1ccc(cc1)C
SPLASH splash10-0f7o-0902100000-3a4eb89e4818056b895f
Source of Spectrum U1-2013-6850-8c
Synonyms (E)-3-(difluoro(phenylthio)methyl)-3-(5-(p-tolyl)pent-4-en-1-yl)isobenzofuran-1(3H)-one 3-[difluoro-(phenylthio)methyl]-3-[(E)-5-(4-methylphenyl)pent-4-enyl]-1-isobenzofuranone 3-[difluoro(phenylsulfanyl)methyl]-3-[(E)-5-(4-methylphenyl)pent-4-enyl]-2-benzofuran-1-one 3-[difluoro(phenylsulfanyl)methyl]-3-[(E)-5-(p-tolyl)pent-4-enyl]isobenzofuran-1-one 3-[bis(fluoranyl)-phenylsulfanyl-methyl]-3-[(E)-5-(4-methylphenyl)pent-4-enyl]-2-benzofuran-1-one
Wiley ID 1736192