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

*Links on SpectraBase are not permalinks.
(5aR*,8aS*)-1-Benzyl-3-methoxy-7-phenyl-5,5a,8a,9-tetrahydro-1H-pyrrolo[3,4-g]qiuinoline-2,6,8(7H)-trione
SpectraBase Compound ID KA390ySarNb
InChI InChI=1S/C25H22N2O4/c1-31-22-13-17-12-19-20(24(29)27(23(19)28)18-10-6-3-7-11-18)14-21(17)26(25(22)30)15-16-8-4-2-5-9-16/h2-11,13,19-20H,12,14-15H2,1H3/t19-,20+/m1/s1
InChIKey QPQFPPQZAFQIQY-UXHICEINSA-N
Mol Weight 414.46 g/mol
Molecular Formula C25H22N2O4
Exact Mass 414.157957 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 5sRq9VXCf21
Name (5aR*,8aS*)-1-Benzyl-3-methoxy-7-phenyl-5,5a,8a,9-tetrahydro-1H-pyrrolo[3,4-g]qiuinoline-2,6,8(7H)-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22N2O4
InChI InChI=1S/C25H22N2O4/c1-31-22-13-17-12-19-20(24(29)27(23(19)28)18-10-6-3-7-11-18)14-21(17)26(25(22)30)15-16-8-4-2-5-9-16/h2-11,13,19-20H,12,14-15H2,1H3/t19-,20+/m1/s1
InChIKey QPQFPPQZAFQIQY-UXHICEINSA-N
Molecular Weight 414.461 g/mol
SMILES C1(N(C([C@@]2(CC=3C=C(C(N(C3C[C@]12[H])Cc1ccccc1)=O)OC)[H])=O)c1ccccc1)=O
SPLASH splash10-01t9-0601900000-85c3acd40e2cb4309d95
Source of Spectrum KC-60-436-22
Synonyms (5aR,8aS)-3-methoxy-7-phenyl-1-(phenylmethyl)-5,5a,8a,9-tetrahydropyrrolo[3,4-g]quinoline-2,6,8-trione
Wiley ID 1583047