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(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-(amylamino)-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-(amylamino)-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 23FK03veWWE
InChI InChI=1S/C24H42N2O/c1-5-6-7-16-25-20-10-9-18-17-8-11-21-24(3,15-13-22(27)26(21)4)19(17)12-14-23(18,20)2/h17-21,25H,5-16H2,1-4H3/t17-,18-,19-,20-,21+,23-,24+/m0/s1
InChIKey OEDKDUVRQIBRBG-KDTKDTIDSA-N
Mol Weight 374.6 g/mol
Molecular Formula C24H42N2O
Exact Mass 374.329714 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JbMkRIjKpn0
Name (1S,3as,3bs,5ar,9ar,9bs,11As)-1-(amylamino)-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 374.329713979 u
Formula C24H42N2O
InChI InChI=1S/C24H42N2O/c1-5-6-7-16-25-20-10-9-18-17-8-11-21-24(3,15-13-22(27)26(21)4)19(17)12-14-23(18,20)2/h17-21,25H,5-16H2,1-4H3/t17-,18-,19-,20-,21+,23-,24+/m0/s1
InChIKey OEDKDUVRQIBRBG-KDTKDTIDSA-N
Molecular Weight 374.613 g/mol
SMILES C1(CC[C@]2([C@](N1C)(CC[C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])(NCCCCC)[H])[H])[H])[H])C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862479