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4-Methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3,6,7,8,9-hexahydrobenzo[e]isoindole
SpectraBase Compound ID IuA8GU6R4J8
InChI InChI=1S/C26H27NO2S/c1-18-12-14-21(15-13-18)30(28,29)27-16-24-19(2)26(20-8-4-3-5-9-20)23-11-7-6-10-22(23)25(24)17-27/h3-5,8-9,12-15H,6-7,10-11,16-17H2,1-2H3
InChIKey XBWZXKXDEMTZPH-UHFFFAOYSA-N
Mol Weight 417.57 g/mol
Molecular Formula C26H27NO2S
Exact Mass 417.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GGUjPI0XZG
Name 4-Methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3,6,7,8,9-hexahydrobenzo[e]isoindole
Alternate Name(s) 4-Methyl-5-phenyl-2-(p-tolylsulfonyl)-1,3,6,7,8,9-hexahydrobenzo[e]isoindole 4-Methyl-5-phenyl-2-tosyl-1,3,6,7,8,9-hexahydrobenz[e]isoindole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27NO2S
InChI InChI=1S/C26H27NO2S/c1-18-12-14-21(15-13-18)30(28,29)27-16-24-19(2)26(20-8-4-3-5-9-20)23-11-7-6-10-22(23)25(24)17-27/h3-5,8-9,12-15H,6-7,10-11,16-17H2,1-2H3
InChIKey XBWZXKXDEMTZPH-UHFFFAOYSA-N
Molecular Weight 417.567 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)Cc2c3c(c(c(c12)C)-c1ccccc1)CCCC3
SPLASH splash10-03di-1090000000-bac501b2645c99cc9d35
Source of Spectrum J-63-8608-6
Wiley ID 1376897