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4-(3,5,5-Trimethylcyclohex-1-en-1-yl)pent-4-enal

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

4-(3,5,5-Trimethylcyclohex-1-en-1-yl)pent-4-enal
SpectraBase Compound ID CdlmLG1KlPC
InChI InChI=1S/C14H22O/c1-11-8-13(10-14(3,4)9-11)12(2)6-5-7-15/h7-8,11H,2,5-6,9-10H2,1,3-4H3
InChIKey CNWJQSPKHTWEJV-UHFFFAOYSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IR01MNuNCHk
Name 4-(3,5,5-Trimethylcyclohex-1-en-1-yl)pent-4-enal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.167065327 u
Formula C14H22O
InChI InChI=1S/C14H22O/c1-11-8-13(10-14(3,4)9-11)12(2)6-5-7-15/h7-8,11H,2,5-6,9-10H2,1,3-4H3
InChIKey CNWJQSPKHTWEJV-UHFFFAOYSA-N
Molecular Weight 206.329 g/mol
SMILES C(CCC(=C)C1=CC(CC(C1)(C)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.891228