| SpectraBase Spectrum ID |
qxLYpl2vQN |
| Name |
1,4,4-Trimethylcyclohex-2-enecarboxylic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
182.130679818 u |
| Formula |
C11H18O2 |
| InChI |
InChI=1S/C11H18O2/c1-10(2)5-7-11(3,8-6-10)9(12)13-4/h5,7H,6,8H2,1-4H3 |
| InChIKey |
XRWRQVRQCRKEHP-UHFFFAOYSA-N |
| Molecular Weight |
182.263 g/mol |
| SMILES |
C(=O)(C1(C=CC(C)(CC1)C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969507 |
