SpectraBase Spectrum ID |
D8fo1jyqi4K |
Name |
1-Methylcyclohexene-4-carboxaldehyde; 3-cyclohexene-1-carboxaldehyde, 4-methyl-; 4-methyl-3-cyclohexenecarboxaldehyde |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
124.088815005 u |
Formula |
C8H12O |
InChI |
InChI=1S/C8H12O/c1-7-2-4-8(6-9)5-3-7/h2,6,8H,3-5H2,1H3 |
InChIKey |
YPHGCKOZJCGDTF-UHFFFAOYSA-N |
Molecular Weight |
124.183 g/mol |
SMILES |
C1(CCC(=CC1)C)C=O |
Spectrum/Structure Validation Score (Raman) |
0.9922 |