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3-(2-Ethenylphenyl)-5-methyl-2-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1H-isoindol-4-ol
SpectraBase Compound ID GaK7RABmP8G
InChI InChI=1S/C24H23NO3S/c1-4-18-7-5-6-8-21(18)23-22-19(12-11-17(3)24(22)26)15-25(23)29(27,28)20-13-9-16(2)10-14-20/h4-14,23,26H,1,15H2,2-3H3
InChIKey DFERSYQVGYQGOP-UHFFFAOYSA-N
Mol Weight 405.51 g/mol
Molecular Formula C24H23NO3S
Exact Mass 405.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xKHQPEG5Dl
Name 3-(2-Ethenylphenyl)-5-methyl-2-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1H-isoindol-4-ol
Appearance Colorless solid
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Formula C24H23NO3S
InChI InChI=1S/C24H23NO3S/c1-4-18-7-5-6-8-21(18)23-22-19(12-11-17(3)24(22)26)15-25(23)29(27,28)20-13-9-16(2)10-14-20/h4-14,23,26H,1,15H2,2-3H3
InChIKey DFERSYQVGYQGOP-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90/Varian MAT 711
Ionization Type EI Positive ion
Literature Reference DOI 10.3762/bjoc.7.90
Molecular Weight 405.512 g/mol
Reported Formula C24H23NO3S
SMILES Oc1c2c(CN(C2c2c(C=C)cccc2)S(c2ccc(cc2)C)(=O)=O)ccc1C
SPLASH splash10-0udi-1090100000-31ae53d8750bd7eb921b
Source of Spectrum BJO-7-SM5-10
Thin-Layer Chromatography Rf = 0.10(PE:EA, 10:1)
Wiley ID 1867253