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4-Methyl-5-phenyl-2-p-toluene-6,7-cyclopentenoisoindoline
SpectraBase Compound ID 2fQetVBrIxR
InChI InChI=1S/C25H25NO2S/c1-17-11-13-20(14-12-17)29(27,28)26-15-23-18(2)25(19-7-4-3-5-8-19)22-10-6-9-21(22)24(23)16-26/h3-5,7-8,11-14H,6,9-10,15-16H2,1-2H3
InChIKey SBHJUSYQOOPBOA-UHFFFAOYSA-N
Mol Weight 403.54 g/mol
Molecular Formula C25H25NO2S
Exact Mass 403.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuUxIr53QOz
Name 4-Methyl-5-phenyl-2-p-toluene-6,7-cyclopentenoisoindoline
Alternate Name(s) 4-Methyl-5-phenyl-2-(p-tolylsulfonyl)-3,6,7,8-tetrahydro-1H-cyclopenta[e]isoindole 4-Methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-3,6,7,8-tetrahydro-1H-cyclopenta[e]isoindole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25NO2S
InChI InChI=1S/C25H25NO2S/c1-17-11-13-20(14-12-17)29(27,28)26-15-23-18(2)25(19-7-4-3-5-8-19)22-10-6-9-21(22)24(23)16-26/h3-5,7-8,11-14H,6,9-10,15-16H2,1-2H3
InChIKey SBHJUSYQOOPBOA-UHFFFAOYSA-N
Molecular Weight 403.540 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)Cc2c3c(c(c(c12)C)-c1ccccc1)CCC3
SPLASH splash10-0002-1090000000-c4333dd7a1708f438398
Source of Spectrum J-63-8608-6
Wiley ID 1370941