| SpectraBase Spectrum ID |
5tv3khwUNv5 |
| Name |
2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl 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/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h7,10H,5-6,8H2,1-4H3 |
| InChIKey |
UMXBKVFQEPMZTB-UHFFFAOYSA-N |
| Molecular Weight |
196.290 g/mol |
| SMILES |
C1C(C(C(=CC1)C)C(OCC)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.989566 |
