| SpectraBase Compound ID | Lq3EWyGAV4c |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-4-6-7-8(5-2)9(10)11-3/h8H,4-7H2,1-3H3 |
| InChIKey | KICUISADAVMYCJ-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C9H18O2 |
| Exact Mass | 158.13068 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 87JGqCqji5O |
|---|---|
| Name | 2-Ethylhexanoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.130679818 u |
| Formula | C9H18O2 |
| InChI | InChI=1S/C9H18O2/c1-4-6-7-8(5-2)9(10)11-3/h8H,4-7H2,1-3H3 |
| InChIKey | KICUISADAVMYCJ-UHFFFAOYSA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | CCC(CCCC)C(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.959201 |