| SpectraBase Spectrum ID |
3Xk3FNfdl9b |
| Name |
Cyclohexanol, 2-(1,1-dimethylethyl)-4-methyl-, propanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.193280075 u |
| Formula |
C14H26O2 |
| InChI |
InChI=1S/C14H26O2/c1-6-13(15)16-12-8-7-10(2)9-11(12)14(3,4)5/h10-12H,6-9H2,1-5H3 |
| InChIKey |
ZMJLRAHAPYQOPZ-UHFFFAOYSA-N |
| Molecular Weight |
226.360 g/mol |
| SMILES |
C1C(C(CC(C1)C)C(C)(C)C)OC(CC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.947764 |
