| SpectraBase Spectrum ID |
BlCtcA565vN |
| Name |
(1,4,4-Trimethylcyclohex-2-enyl)acetic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
196.146329882 u |
| Formula |
C12H20O2 |
| InChI |
InChI=1S/C12H20O2/c1-11(2)5-7-12(3,8-6-11)9-10(13)14-4/h5,7H,6,8-9H2,1-4H3 |
| InChIKey |
LYPWXMRQOXFUMZ-UHFFFAOYSA-N |
| Molecular Weight |
196.290 g/mol |
| SMILES |
C(OC)(CC1(C)CCC(C=C1)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897056 |
