| SpectraBase Spectrum ID |
DAVTW7dY7Qd |
| Name |
2-Methyloctanoic acid, ethyl ester; octanoic acid, 2-methyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
186.161979946 u |
| Formula |
C11H22O2 |
| InChI |
InChI=1S/C11H22O2/c1-4-6-7-8-9-10(3)11(12)13-5-2/h10H,4-9H2,1-3H3 |
| InChIKey |
HRJHQOXWONBAJC-UHFFFAOYSA-N |
| Molecular Weight |
186.295 g/mol |
| SMILES |
C(C(CCCCCC)C)(OCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.966843 |
