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4,6-Diisohexyl-6-methylcyclohexa-1,3-diene-carbaldehyde

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

4,6-Diisohexyl-6-methylcyclohexa-1,3-diene-carbaldehyde
SpectraBase Compound ID 8sWEopFuxaR
InChI InChI=1S/C20H34O/c1-16(2)8-6-10-18-11-12-19(15-21)20(5,14-18)13-7-9-17(3)4/h11-12,15-17H,6-10,13-14H2,1-5H3
InChIKey SPQJVUXQYFDDBV-UHFFFAOYSA-N
Mol Weight 290.5 g/mol
Molecular Formula C20H34O
Exact Mass 290.260966 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2qVmhFAPjf7
Name 4,6-Diisohexyl-6-methylcyclohexa-1,3-diene-carbaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.260965714 u
Formula C20H34O
InChI InChI=1S/C20H34O/c1-16(2)8-6-10-18-11-12-19(15-21)20(5,14-18)13-7-9-17(3)4/h11-12,15-17H,6-10,13-14H2,1-5H3
InChIKey SPQJVUXQYFDDBV-UHFFFAOYSA-N
SMILES C1(=CC=C(CC1(C)CCCC(C)C)CCCC(C)C)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.860086