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(1R,2S,8as)-1,2,5,5-Tetramethyl-1-[4',8',12'-trimethyltrideca-3',7',11'-trienyl]-6-oxo-1,2,3,5,6,7,8,9-octahydronaphthalene

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

(1R,2S,8as)-1,2,5,5-Tetramethyl-1-[4',8',12'-trimethyltrideca-3',7',11'-trienyl]-6-oxo-1,2,3,5,6,7,8,9-octahydronaphthalene
SpectraBase Compound ID DviDshUHYD
InChI InChI=1S/C30H48O/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-21-30(8)25(5)17-18-26-27(30)19-20-28(31)29(26,6)7/h12,14,16,18,25,27H,9-11,13,15,17,19-21H2,1-8H3/b23-14+,24-16+/t25-,27+,30+/m0/s1
InChIKey BXNWLYGBDPAPNF-LSKJINHKSA-N
Mol Weight 424.7 g/mol
Molecular Formula C30H48O
Exact Mass 424.370516 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 14FyTgeyIOT
Name (1R,2S,8as)-1,2,5,5-Tetramethyl-1-[4',8',12'-trimethyltrideca-3',7',11'-trienyl]-6-oxo-1,2,3,5,6,7,8,9-octahydronaphthalene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.370516165 u
Formula C30H48O
InChI InChI=1S/C30H48O/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-21-30(8)25(5)17-18-26-27(30)19-20-28(31)29(26,6)7/h12,14,16,18,25,27H,9-11,13,15,17,19-21H2,1-8H3/b23-14+,24-16+/t25-,27+,30+/m0/s1
InChIKey BXNWLYGBDPAPNF-LSKJINHKSA-N
Molecular Weight 424.713 g/mol
SMILES C1=2[C@]([C@@](CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)(C)[C@](CC2)(C)[H])(CCC(C1(C)C)=O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952912