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E/Z Mixture of 3-[Difluoro(phenylsulfanyl)methyl]-3-[(3-methoxyphenyl)pent-4-enyl]isobenzofuran-1(3H)-one
SpectraBase Compound ID EjjF9MwQYB0
InChI InChI=1S/C27H24F2O3S/c1-31-21-13-10-12-20(19-21)11-4-3-9-18-26(24-17-8-7-16-23(24)25(30)32-26)27(28,29)33-22-14-5-2-6-15-22/h2,4-8,10-17,19H,3,9,18H2,1H3/b11-4+
InChIKey FBBVCBOWKRWDCJ-NYYWCZLTSA-N
Mol Weight 466.54 g/mol
Molecular Formula C27H24F2O3S
Exact Mass 466.141422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EfIHh4vyNR0
Name E/Z Mixture of 3-[Difluoro(phenylsulfanyl)methyl]-3-[(3-methoxyphenyl)pent-4-enyl]isobenzofuran-1(3H)-one
Alternate Name(s) E/Z Mixture of 3-[Difluoro(phenylsulfanyl)methyl]-3-[5-(3-methoxyphenyl)pent-4-enyl]isobenzofuran-1(3H)-one (E)-3-(difluoro(phenylthio)methyl)-3-(5-(3-methoxyphenyl)pent-4-en-1-yl)isobenzofuran-1(3H)-one 3-[difluoro-(phenylthio)methyl]-3-[(E)-5-(3-methoxyphenyl)pent-4-enyl]-1-isobenzofuranone 3-[difluoro(phenylsulfanyl)methyl]-3-[(E)-5-(3-methoxyphenyl)pent-4-enyl]-2-benzofuran-1-one 3-[difluoro(phenylsulfanyl)methyl]-3-[(E)-5-(3-methoxyphenyl)pent-4-enyl]isobenzofuran-1-one 3-[bis(fluoranyl)-phenylsulfanyl-methyl]-3-[(E)-5-(3-methoxyphenyl)pent-4-enyl]-2-benzofuran-1-one
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Formula C27H24F2O3S
InChI InChI=1S/C27H24F2O3S/c1-31-21-13-10-12-20(19-21)11-4-3-9-18-26(24-17-8-7-16-23(24)25(30)32-26)27(28,29)33-22-14-5-2-6-15-22/h2,4-8,10-17,19H,3,9,18H2,1H3/b11-4+
InChIKey FBBVCBOWKRWDCJ-NYYWCZLTSA-N
Molecular Weight 466.543 g/mol
SMILES C1(C(Sc2ccccc2)(F)F)(OC(=O)c2c1cccc2)CCC\C=C\c1cc(OC)ccc1
SPLASH splash10-03xs-0900200000-0ac0ccc55d0ce16c77ba
Source of Spectrum U1-2013-6852-8d
Wiley ID 1736191