| SpectraBase Compound ID | Fda0cbrUQXW |
|---|---|
| InChI | InChI=1S/C14H26O3/c1-4-6-7-8-9-10-11-13(12(3)15)14(16)17-5-2/h13H,4-11H2,1-3H3 |
| InChIKey | APTZVOCKCUIHMY-UHFFFAOYSA-N |
| Mol Weight | 242.36 g/mol |
| Molecular Formula | C14H26O3 |
| Exact Mass | 242.188195 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AWlpKtwxhSp |
|---|---|
| Name | 2-Acetyldecanoic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.188194694 u |
| Formula | C14H26O3 |
| InChI | InChI=1S/C14H26O3/c1-4-6-7-8-9-10-11-13(12(3)15)14(16)17-5-2/h13H,4-11H2,1-3H3 |
| InChIKey | APTZVOCKCUIHMY-UHFFFAOYSA-N |
| Molecular Weight | 242.359 g/mol |
| SMILES | CC(C(C(OCC)=O)CCCCCCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.95973 |