| SpectraBase Spectrum ID |
EVTstyT0llY |
| Name |
Octanoic acid, 2-methylcyclohexyl ester, trans- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.208930140 u |
| Formula |
C15H28O2 |
| InChI |
InChI=1S/C15H28O2/c1-3-4-5-6-7-12-15(16)17-14-11-9-8-10-13(14)2/h13-14H,3-12H2,1-2H3/t13-,14-/m1/s1 |
| InChIKey |
ZFUKUODGBHPRJR-ZIAGYGMSSA-N |
| Molecular Weight |
240.387 g/mol |
| SMILES |
C(O[C@]1([C@](C)(CCCC1)[H])[H])(=O)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974037 |
