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(3aS,6aS,9aR,10aS,10bR)-2,8-dimethyl-5-(4-nitrophenyl)-3a,4,6,6a,10,10a-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H,9aH,10bH)-tetraone

View entire compound with spectra: 1 MS (GC)

(3aS,6aS,9aR,10aS,10bR)-2,8-dimethyl-5-(4-nitrophenyl)-3a,4,6,6a,10,10a-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H,9aH,10bH)-tetraone
SpectraBase Compound ID 69cPPAyElnP
InChI InChI=1S/C22H21N3O6/c1-23-19(26)15-8-13-12(10-3-5-11(6-4-10)25(30)31)7-17-18(22(29)24(2)21(17)28)14(13)9-16(15)20(23)27/h3-6,14-18H,7-9H2,1-2H3/t14-,15+,16-,17+,18-/m1/s1
InChIKey YPFINWJUVMSKHG-MDMSPXHWSA-N
Mol Weight 423.43 g/mol
Molecular Formula C22H21N3O6
Exact Mass 423.143035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqyYFqQGGSv
Name (3aS,6aS,9aR,10aS,10bR)-2,8-dimethyl-5-(4-nitrophenyl)-3a,4,6,6a,10,10a-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H,9aH,10bH)-tetraone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O6
InChI InChI=1S/C22H21N3O6/c1-23-19(26)15-8-13-12(10-3-5-11(6-4-10)25(30)31)7-17-18(22(29)24(2)21(17)28)14(13)9-16(15)20(23)27/h3-6,14-18H,7-9H2,1-2H3/t14-,15+,16-,17+,18-/m1/s1
InChIKey YPFINWJUVMSKHG-MDMSPXHWSA-N
Literature Reference DOI 10.1021/ol7021998
Molecular Weight 423.425 g/mol
SMILES C1[C@@]2(C(C[C@@]3(C(=O)N(C)C(=O)[C@]13[H])[H])=C(c1ccc(cc1)[N+]([O-])=O)C[C@@]1(C(N(C([C@]21[H])=O)C)=O)[H])[H]
SPLASH splash10-074i-0300900000-ebecb9290861e2f361d9
Source of Spectrum A1-9-4861/SMS22-14e
Wiley ID 1758752