| SpectraBase Spectrum ID |
93fHhcQTgAm |
| Name |
((1S,6R)-1,2,6-Trimethyl-cyclohex-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/c1-9-6-5-7-10(2)12(9,3)8-11(13)14-4/h6,10H,5,7-8H2,1-4H3/t10-,12-/m1/s1 |
| InChIKey |
XPPCEMLIKQJOHL-ZYHUDNBSSA-N |
| Molecular Weight |
196.290 g/mol |
| SMILES |
[C@@]1(C(=CCC[C@]1(C)[H])C)(CC(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983235 |
