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(2'E,7'Z,1''-alpha,4A''-beta,8A''-alpha)-2-[3',7'-Dimethyl-9'-(2'',5'',5'',8A''-tetramethyl-1'',4'',4A'',5'',6'',7'',8'',8A''-octahydronaphthalen-1''-yl)-

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

(2'E,7'Z,1''-alpha,4A''-beta,8A''-alpha)-2-[3',7'-Dimethyl-9'-(2'',5'',5'',8A''-tetramethyl-1'',4'',4A'',5'',6'',7'',8'',8A''-octahydronaphthalen-1''-yl)-
SpectraBase Compound ID 1LPxrsB2m1d
InChI InChI=1S/C31H46O2/c1-22(11-14-25-21-26(32)15-17-28(25)33)9-7-10-23(2)12-16-27-24(3)13-18-29-30(4,5)19-8-20-31(27,29)6/h11-13,15,17,21,27,29,32-33H,7-10,14,16,18-20H2,1-6H3/b22-11+,23-12-/t27-,29-,31+/m0/s1
InChIKey FBBXOWQBMFRXRO-MEVHTVKHSA-N
Mol Weight 450.7 g/mol
Molecular Formula C31H46O2
Exact Mass 450.349781 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Abehhi9YnNi
Name (2'E,7'Z,1''-alpha,4A''-beta,8A''-alpha)-2-[3',7'-Dimethyl-9'-(2'',5'',5'',8A''-tetramethyl-1'',4'',4A'',5'',6'',7'',8'',8A''-octahydronaphthalen-1''-yl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.349780719 u
Formula C31H46O2
InChI InChI=1S/C31H46O2/c1-22(11-14-25-21-26(32)15-17-28(25)33)9-7-10-23(2)12-16-27-24(3)13-18-29-30(4,5)19-8-20-31(27,29)6/h11-13,15,17,21,27,29,32-33H,7-10,14,16,18-20H2,1-6H3/b22-11+,23-12-/t27-,29-,31+/m0/s1
InChIKey FBBXOWQBMFRXRO-MEVHTVKHSA-N
Molecular Weight 450.707 g/mol
SMILES C=1(O)C(C\C=C\(CCC\C(=C/C[C@@]2([C@@]3([C@@](CC=C2C)(C(C)(C)CCC3)[H])C)[H])C)C)=CC(=CC1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905392