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endo-4,8-Bebnzylepimino-5,6-dimethyl-2-phenyl-2,3,3a,4,8,8a-hexahydro-1H-thieno[3,4-f]isoindole-1,3-dione
SpectraBase Compound ID 5gIriBg4KZ5
InChI InChI=1S/C25H22N2O2S/c1-14-18-19(15(2)30-14)23-21-20(22(18)26(23)13-16-9-5-3-6-10-16)24(28)27(25(21)29)17-11-7-4-8-12-17/h3-12,20-23H,13H2,1-2H3/t20?,21?,22-,23+
InChIKey FTLACLMFVNEJOQ-MYNGYRLFSA-N
Mol Weight 414.52 g/mol
Molecular Formula C25H22N2O2S
Exact Mass 414.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3noBnRk3zbQ
Name endo-4,8-Bebnzylepimino-5,6-dimethyl-2-phenyl-2,3,3a,4,8,8a-hexahydro-1H-thieno[3,4-f]isoindole-1,3-dione
Alternate Name(s) 13-benzyl-3,5-dimethyl-10-phenyl-4-thia-10,13-diazatetracyclo[5.5.1.0(2,6).0(8,12)]trideca-2,5-diene-9,11-dione endo-4,8-Benzylepimino-5,6-dimethyl-2-phenyl-2,3,3a,4,8,8a-hexahydro-1H-thieno[3,4-f]isoindole-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22N2O2S
InChI InChI=1S/C25H22N2O2S/c1-14-18-19(15(2)30-14)23-21-20(22(18)26(23)13-16-9-5-3-6-10-16)24(28)27(25(21)29)17-11-7-4-8-12-17/h3-12,20-23H,13H2,1-2H3/t20?,21?,22-,23+
InChIKey FTLACLMFVNEJOQ-MYNGYRLFSA-N
Molecular Weight 414.523 g/mol
SMILES c12c([C@@]3(N([C@]2(C2C3C(=O)N(C2=O)c2ccccc2)[H])Cc2ccccc2)[H])c(C)sc1C
SPLASH splash10-03di-0090100000-6554668e2cba6944afa6
Source of Spectrum KC-0-3070-19
Wiley ID 782533