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(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(4-nitroanilino)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(4-nitroanilino)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
SpectraBase Compound ID 4qxc8bimngp
InChI InChI=1S/C25H35N3O3/c1-24-14-12-20-18(8-11-22-25(20,2)15-13-23(29)27(22)3)19(24)9-10-21(24)26-16-4-6-17(7-5-16)28(30)31/h4-7,18-22,26H,8-15H2,1-3H3/t18-,19-,20-,21-,22+,24-,25+/m0/s1
InChIKey RMORRQOSBCEHOX-BLZXGSKESA-N
Mol Weight 425.6 g/mol
Molecular Formula C25H35N3O3
Exact Mass 425.267842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID uVgoTUsb9b
Name (1S,3as,3bs,5ar,9ar,9bs,11As)-6,9A,11A-trimethyl-1-(4-nitroanilino)-2,3,3A,3B,4,5,5A,8,9,9B,10,11-dodecahydro-1H-indeno[5,4-F]quinolin-7-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.267841996 u
Formula C25H35N3O3
InChI InChI=1S/C25H35N3O3/c1-24-14-12-20-18(8-11-22-25(20,2)15-13-23(29)27(22)3)19(24)9-10-21(24)26-16-4-6-17(7-5-16)28(30)31/h4-7,18-22,26H,8-15H2,1-3H3/t18-,19-,20-,21-,22+,24-,25+/m0/s1
InChIKey RMORRQOSBCEHOX-BLZXGSKESA-N
Molecular Weight 425.573 g/mol
SMILES [C@@]12([C@](N(C)C(CC2)=O)(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(NC1=CC=C(N(=O)=O)C=C1)[H])[H])[H])[H])C