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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-octyl-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-octyl-methanamide
SpectraBase Compound ID Co8jpwAWpQK
InChI InChI=1S/C28H48N2O2/c1-5-6-7-8-9-10-19-30(20-31)25-14-12-22-21-11-13-24-27(2,18-16-26(32)29(24)4)23(21)15-17-28(22,25)3/h20-25H,5-19H2,1-4H3/t21-,22-,23-,24+,25-,27+,28-/m0/s1
InChIKey RGCRAJJRVXNDPO-FVCUTASHSA-N
Mol Weight 444.7 g/mol
Molecular Formula C28H48N2O2
Exact Mass 444.371579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3U7nX4dqnaY
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-octyl-methanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.371578792 u
Formula C28H48N2O2
InChI InChI=1S/C28H48N2O2/c1-5-6-7-8-9-10-19-30(20-31)25-14-12-22-21-11-13-24-27(2,18-16-26(32)29(24)4)23(21)15-17-28(22,25)3/h20-25H,5-19H2,1-4H3/t21-,22-,23-,24+,25-,27+,28-/m0/s1
InChIKey RGCRAJJRVXNDPO-FVCUTASHSA-N
Molecular Weight 444.704 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)CCCCCCCC)[H])[H])[H])[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890956