For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(3aS,6aS,9aR,10aS,10bR)-5-chloro-2,8-dimethyl-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)-5-chloro-2,8-dimethyl-3a,4,6,6a,10,10a-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H,9aH,10bH)-tetraone
SpectraBase Compound ID AOQIapC1Rl2
InChI InChI=1S/C16H17ClN2O4/c1-18-13(20)8-3-6-7(4-9(8)14(18)21)12-10(5-11(6)17)15(22)19(2)16(12)23/h7-10,12H,3-5H2,1-2H3/t7-,8+,9-,10+,12-/m1/s1
InChIKey FJFGZHHMMGSFAS-RACFRTOFSA-N
Mol Weight 336.78 g/mol
Molecular Formula C16H17ClN2O4
Exact Mass 336.087685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3iSXgde2i5P
Name (3aS,6aS,9aR,10aS,10bR)-5-chloro-2,8-dimethyl-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 C16H17ClN2O4
InChI InChI=1S/C16H17ClN2O4/c1-18-13(20)8-3-6-7(4-9(8)14(18)21)12-10(5-11(6)17)15(22)19(2)16(12)23/h7-10,12H,3-5H2,1-2H3/t7-,8+,9-,10+,12-/m1/s1
InChIKey FJFGZHHMMGSFAS-RACFRTOFSA-N
Literature Reference DOI 10.1021/ol7021998
Molecular Weight 336.775 g/mol
SMILES C=1(C[C@@]2(C(N(C([C@@]2([C@]2(C1C[C@@]1(C(N(C([C@]1([H])C2)=O)C)=O)[H])[H])[H])=O)C)=O)[H])Cl
SPLASH splash10-000b-7009000000-3de7fac2db5edb1392e3
Source of Spectrum A1-9-4861/SMS15-14a
Wiley ID 1758749