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3-[Difluoro(phenylsulfanyl)methyl]-3-[4-(3-methoxyphenyl)but-3-enyl]isobenzofuran-1(3H)-one
SpectraBase Compound ID B6eO4PBxGBJ
InChI InChI=1S/C26H22F2O3S/c1-30-20-12-9-11-19(18-20)10-7-8-17-25(23-16-6-5-15-22(23)24(29)31-25)26(27,28)32-21-13-3-2-4-14-21/h2-7,9-16,18H,8,17H2,1H3/b10-7+
InChIKey YORFICPBVSCWSJ-JXMROGBWSA-N
Mol Weight 452.52 g/mol
Molecular Formula C26H22F2O3S
Exact Mass 452.125772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUULIDUJHSR
Name 3-[Difluoro(phenylsulfanyl)methyl]-3-[4-(3-methoxyphenyl)but-3-enyl]isobenzofuran-1(3H)-one
Alternate Name(s) (E)-3-(difluoro(phenylthio)methyl)-3-(4-(3-methoxyphenyl)but-3-en-1-yl)isobenzofuran-1(3H)-one 3-[difluoro-(phenylthio)methyl]-3-[(E)-4-(3-methoxyphenyl)but-3-enyl]-1-isobenzofuranone 3-[difluoro(phenylsulfanyl)methyl]-3-[(E)-4-(3-methoxyphenyl)but-3-enyl]-2-benzofuran-1-one 3-[difluoro(phenylsulfanyl)methyl]-3-[(E)-4-(3-methoxyphenyl)but-3-enyl]isobenzofuran-1-one 3-[bis(fluoranyl)-phenylsulfanyl-methyl]-3-[(E)-4-(3-methoxyphenyl)but-3-enyl]-2-benzofuran-1-one
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Formula C26H22F2O3S
InChI InChI=1S/C26H22F2O3S/c1-30-20-12-9-11-19(18-20)10-7-8-17-25(23-16-6-5-15-22(23)24(29)31-25)26(27,28)32-21-13-3-2-4-14-21/h2-7,9-16,18H,8,17H2,1H3/b10-7+
InChIKey YORFICPBVSCWSJ-JXMROGBWSA-N
Molecular Weight 452.516 g/mol
SMILES C1(C(Sc2ccccc2)(F)F)(OC(=O)c2c1cccc2)CC\C=C\c1cc(OC)ccc1
SPLASH splash10-0udj-4924400000-603338690896ae4037ff
Source of Spectrum EMC-2013-6850-3h
Wiley ID 1736194