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4,9-Imino-1H-benz[f]isoindole-1,3(2H)-dione, 3a,4,9,9a-tetrahydro-2-methyl-10-[(4-methylphenyl)sulfonyl]-, (3a.alpha.,4.alpha.,9.alpha.,9a.alpha.)-
SpectraBase Compound ID 82MCtyS3Vhi
InChI InChI=1S/C20H18N2O4S/c1-11-7-9-12(10-8-11)27(25,26)22-17-13-5-3-4-6-14(13)18(22)16-15(17)19(23)21(2)20(16)24/h3-10,15-18H,1-2H3/t15-,16+,17-,18+
InChIKey CCUJGDHZGRQOCN-USTZCAOPSA-N
Mol Weight 382.43 g/mol
Molecular Formula C20H18N2O4S
Exact Mass 382.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cKmaDdnANi
Name 4,9-Imino-1H-benz[f]isoindole-1,3(2H)-dione, 3a,4,9,9a-tetrahydro-2-methyl-10-[(4-methylphenyl)sulfonyl]-, (3a.alpha.,4.alpha.,9.alpha.,9a.alpha.)-
Alternate Name(s) (1R,8S,9R,13S)-11-methyl-14-[(4-methylphenyl)sulfonyl]-11,14-diazatetracyclo[6.5.1.0(2,7).0(9,13)]tetradeca-2,4,6-triene-10,12-dione endo-3a,9a-dihydro-2-methyl-1,3-dioxo-4,9-(toluene-p-sulphonyl)epiminobenz(f)isoindoline
CAS Registry Number 86557-85-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2O4S
InChI InChI=1S/C20H18N2O4S/c1-11-7-9-12(10-8-11)27(25,26)22-17-13-5-3-4-6-14(13)18(22)16-15(17)19(23)21(2)20(16)24/h3-10,15-18H,1-2H3/t15-,16+,17-,18+
InChIKey CCUJGDHZGRQOCN-USTZCAOPSA-N
Molecular Weight 382.434 g/mol
SMILES c1(S(N2[C@]3([C@@]4(C(=O)N(C([C@@]4([C@@]2(c2ccccc32)[H])[H])=O)C)[H])[H])(=O)=O)ccc(cc1)C
SPLASH splash10-0a4i-0970000000-1f617b5753602cbc6eea
Source of Spectrum F-39-1405-0
Wiley ID 1360490