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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-hexyl-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-hexyl-methanamide
SpectraBase Compound ID HnmLyIXaLTa
InChI InChI=1S/C26H44N2O2/c1-5-6-7-8-17-28(18-29)23-12-10-20-19-9-11-22-25(2,16-14-24(30)27(22)4)21(19)13-15-26(20,23)3/h18-23H,5-17H2,1-4H3/t19-,20-,21-,22+,23-,25+,26-/m0/s1
InChIKey GMEAODWEIDSCAS-LMZXXRHXSA-N
Mol Weight 416.7 g/mol
Molecular Formula C26H44N2O2
Exact Mass 416.340279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9utWjsdhc0e
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-hexyl-methanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.340278663 u
Formula C26H44N2O2
InChI InChI=1S/C26H44N2O2/c1-5-6-7-8-17-28(18-29)23-12-10-20-19-9-11-22-25(2,16-14-24(30)27(22)4)21(19)13-15-26(20,23)3/h18-23H,5-17H2,1-4H3/t19-,20-,21-,22+,23-,25+,26-/m0/s1
InChIKey GMEAODWEIDSCAS-LMZXXRHXSA-N
Molecular Weight 416.650 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)(N(C=O)CCCCCC)[H])[H])[H])[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873517