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3-[Difluoro(phenylsulfanyl)methyl]-3-(4-tolylbut-3-enyl)isobenzofuran-1(3H)-one
SpectraBase Compound ID ANbK5nbzI2g
InChI InChI=1S/C26H22F2O2S/c1-19-14-16-20(17-15-19)9-7-8-18-25(23-13-6-5-12-22(23)24(29)30-25)26(27,28)31-21-10-3-2-4-11-21/h2-7,9-17H,8,18H2,1H3/b9-7+
InChIKey YPTOZRTWACYRLH-VQHVLOKHSA-N
Mol Weight 436.52 g/mol
Molecular Formula C26H22F2O2S
Exact Mass 436.130857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HesNRietU
Name 3-[Difluoro(phenylsulfanyl)methyl]-3-(4-tolylbut-3-enyl)isobenzofuran-1(3H)-one
Alternate Name(s) (E)-3-(difluoro(phenylthio)methyl)-3-(4-(p-tolyl)but-3-en-1-yl)isobenzofuran-1(3H)-one 3-[difluoro-(phenylthio)methyl]-3-[(E)-4-(4-methylphenyl)but-3-enyl]-1-isobenzofuranone 3-[difluoro(phenylsulfanyl)methyl]-3-[(E)-4-(4-methylphenyl)but-3-enyl]-2-benzofuran-1-one 3-[difluoro(phenylsulfanyl)methyl]-3-[(E)-4-(p-tolyl)but-3-enyl]isobenzofuran-1-one 3-[bis(fluoranyl)-phenylsulfanyl-methyl]-3-[(E)-4-(4-methylphenyl)but-3-enyl]-2-benzofuran-1-one
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Formula C26H22F2O2S
InChI InChI=1S/C26H22F2O2S/c1-19-14-16-20(17-15-19)9-7-8-18-25(23-13-6-5-12-22(23)24(29)30-25)26(27,28)31-21-10-3-2-4-11-21/h2-7,9-17H,8,18H2,1H3/b9-7+
InChIKey YPTOZRTWACYRLH-VQHVLOKHSA-N
Molecular Weight 436.517 g/mol
SMILES C1(C(Sc2ccccc2)(F)F)(OC(=O)c2c1cccc2)CC\C=C\c1ccc(cc1)C
SPLASH splash10-004i-5965200000-1221f5bb3362436c3ed1
Source of Spectrum EMC-2013-6850-3g
Wiley ID 1736195