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N-[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-cyclohexyl-methanamide

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

N-[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-cyclohexyl-methanamide
SpectraBase Compound ID 2DiwZQOS8a9
InChI InChI=1S/C26H42N2O2/c1-25-16-14-24(30)27(3)22(25)11-9-19-20-10-12-23(26(20,2)15-13-21(19)25)28(17-29)18-7-5-4-6-8-18/h17-23H,4-16H2,1-3H3/t19-,20-,21-,22+,23-,25+,26-/m0/s1
InChIKey GWOHHTZQGRQPDS-LMZXXRHXSA-N
Mol Weight 414.6 g/mol
Molecular Formula C26H42N2O2
Exact Mass 414.324629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3ULetf04hNy
Name N-[(1S,3as,3br,5ar,9ar,9bs,11As)-6,9A,11A-trimethyl-7-oxidanylidene-2,3,3A,3B,4,5,5A,8,9,9B,10,11-dodecahydro-1H-indeno[5,4-F]quinolin-1-yl]-N-cyclohexyl-methanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.324628598 u
Formula C26H42N2O2
InChI InChI=1S/C26H42N2O2/c1-25-16-14-24(30)27(3)22(25)11-9-19-20-10-12-23(26(20,2)15-13-21(19)25)28(17-29)18-7-5-4-6-8-18/h17-23H,4-16H2,1-3H3/t19-,20-,21-,22+,23-,25+,26-/m0/s1
InChIKey GWOHHTZQGRQPDS-LMZXXRHXSA-N
Molecular Weight 414.634 g/mol
SMILES C1(CC[C@]2([C@](N1C)(CC[C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])(N(C=O)C1CCCCC1)[H])[H])[H])[H])C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.823261