For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-(Cyclohex-1-en-1-yl)-5-methylhexanal

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

3-(Cyclohex-1-en-1-yl)-5-methylhexanal
SpectraBase Compound ID CRb7SjIgvKY
InChI InChI=1S/C13H22O/c1-11(2)10-13(8-9-14)12-6-4-3-5-7-12/h6,9,11,13H,3-5,7-8,10H2,1-2H3
InChIKey QOICSSBCSMEBHE-UHFFFAOYSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LEIdBvcK3sT
Name 3-(Cyclohex-1-en-1-yl)-5-methylhexanal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.167065327 u
Formula C13H22O
InChI InChI=1S/C13H22O/c1-11(2)10-13(8-9-14)12-6-4-3-5-7-12/h6,9,11,13H,3-5,7-8,10H2,1-2H3
InChIKey QOICSSBCSMEBHE-UHFFFAOYSA-N
Molecular Weight 194.318 g/mol
SMILES C(CC(CC(C)C)C1=CCCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827071