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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-heptyl-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-heptyl-methanamide
SpectraBase Compound ID FbbnckTeXka
InChI InChI=1S/C27H46N2O2/c1-5-6-7-8-9-18-29(19-30)24-13-11-21-20-10-12-23-26(2,17-15-25(31)28(23)4)22(20)14-16-27(21,24)3/h19-24H,5-18H2,1-4H3/t20-,21-,22-,23+,24-,26+,27-/m0/s1
InChIKey AAPWPJPYGFXASA-YXRHCOCTSA-N
Mol Weight 430.7 g/mol
Molecular Formula C27H46N2O2
Exact Mass 430.355929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jr0rxgUFdkl
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-heptyl-methanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.355928727 u
Formula C27H46N2O2
InChI InChI=1S/C27H46N2O2/c1-5-6-7-8-9-18-29(19-30)24-13-11-21-20-10-12-23-26(2,17-15-25(31)28(23)4)22(20)14-16-27(21,24)3/h19-24H,5-18H2,1-4H3/t20-,21-,22-,23+,24-,26+,27-/m0/s1
InChIKey AAPWPJPYGFXASA-YXRHCOCTSA-N
Molecular Weight 430.677 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)CCCCCCC)[H])[H])[H])[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875592