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(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-anilino-6,9a,11a-trimethyl-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, 1 FTIR, and 1 MS (GC)

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-anilino-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
SpectraBase Compound ID 5PR4Xhstmsm
InChI InChI=1S/C25H36N2O/c1-24-15-13-20-18(9-12-22-25(20,2)16-14-23(28)27(22)3)19(24)10-11-21(24)26-17-7-5-4-6-8-17/h4-8,18-22,26H,9-16H2,1-3H3/t18-,19-,20-,21-,22+,24-,25+/m0/s1
InChIKey RQNGZUMKXVKIKG-BLZXGSKESA-N
Mol Weight 380.6 g/mol
Molecular Formula C25H36N2O
Exact Mass 380.282764 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2E6jpv9obYG
Name (1S,3as,3bs,5ar,9ar,9bs,11As)-1-anilino-6,9A,11A-trimethyl-2,3,3A,3B,4,5,5A,8,9,9B,10,11-dodecahydro-1H-indeno[5,4-F]quinolin-7-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.282763786 u
Formula C25H36N2O
InChI InChI=1S/C25H36N2O/c1-24-15-13-20-18(9-12-22-25(20,2)16-14-23(28)27(22)3)19(24)10-11-21(24)26-17-7-5-4-6-8-17/h4-8,18-22,26H,9-16H2,1-3H3/t18-,19-,20-,21-,22+,24-,25+/m0/s1
InChIKey RQNGZUMKXVKIKG-BLZXGSKESA-N
Molecular Weight 380.576 g/mol
SMILES C1(CC[C@]2([C@](N1C)(CC[C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])(NC=1C=CC=CC1)[H])[H])[H])[H])C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.857096