| SpectraBase Spectrum ID |
KzjjqeOolZ4 |
| Name |
1-Methyl-1-cyclohexa-2,5-dienecarboxylic acid cyclohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-14(10-6-3-7-11-14)13(15)16-12-8-4-2-5-9-12/h6-7,10-12H,2-5,8-9H2,1H3 |
| InChIKey |
DVWUZQHNHLSYTF-UHFFFAOYSA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
C(C1(C=CCC=C1)C)(OC1CCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945958 |
