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(5S)-2,4,4-trimethyl-3-[2-(1-methylcyclohexyl)ethyl]-5-(1-methylethenyl)-1-cyclohex-2-enone

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

(5S)-2,4,4-trimethyl-3-[2-(1-methylcyclohexyl)ethyl]-5-(1-methylethenyl)-1-cyclohex-2-enone
SpectraBase Compound ID 6xfnVvASAr8
InChI InChI=1S/C21H34O/c1-15(2)18-14-19(22)16(3)17(20(18,4)5)10-13-21(6)11-8-7-9-12-21/h18H,1,7-14H2,2-6H3/t18-/m0/s1
InChIKey BBZRJUGXFDQWRI-SFHVURJKSA-N
Mol Weight 302.5 g/mol
Molecular Formula C21H34O
Exact Mass 302.260966 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CaJOFYgzs4o
Name (5S)-2,4,4-Trimethyl-3-[2-(1-methylcyclohexyl)ethyl]-5-(1-methylethenyl)-1-cyclohex-2-enone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.260965714 u
Formula C21H34O
InChI InChI=1S/C21H34O/c1-15(2)18-14-19(22)16(3)17(20(18,4)5)10-13-21(6)11-8-7-9-12-21/h18H,1,7-14H2,2-6H3/t18-/m0/s1
InChIKey BBZRJUGXFDQWRI-SFHVURJKSA-N
SMILES C=1(C([C@](C(=C)C)(CC(C1C)=O)[H])(C)C)CCC1(C)CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904162