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4,4-Dimethyl-3-(isopropenyl)-cyclohexanecarbaldehyde

View entire compound with spectra: 1 FTIR, and 4 MS (GC)

4,4-Dimethyl-3-(isopropenyl)-cyclohexanecarbaldehyde
SpectraBase Compound ID 1oMcT9QrQK0
InChI InChI=1S/C12H20O/c1-9(2)11-7-10(8-13)5-6-12(11,3)4/h8,10-11H,1,5-7H2,2-4H3
InChIKey UWZSDCMYDRMOGY-UHFFFAOYSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DlVmant9jL
Name 4,4-Dimethyl-3-(isopropenyl)-cyclohexanecarbaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.151415263 u
Formula C12H20O
InChI InChI=1S/C12H20O/c1-9(2)11-7-10(8-13)5-6-12(11,3)4/h8,10-11H,1,5-7H2,2-4H3
InChIKey UWZSDCMYDRMOGY-UHFFFAOYSA-N
Molecular Weight 180.291 g/mol
SMILES C1(CC(C(CC1)(C)C)C(=C)C)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940638