| SpectraBase Compound ID | 1zszbWjmLol |
|---|---|
| InChI | InChI=1S/C14H26O3/c1-4-5-6-7-8-9-10-13(15)14(16)17-11-12(2)3/h12H,4-11H2,1-3H3 |
| InChIKey | IYCHVEKACWRTGG-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 | JRT4sPzHWw4 |
|---|---|
| Name | Decanoic acid, 2-oxo-, isobutyl 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/c1-4-5-6-7-8-9-10-13(15)14(16)17-11-12(2)3/h12H,4-11H2,1-3H3 |
| InChIKey | IYCHVEKACWRTGG-UHFFFAOYSA-N |
| Molecular Weight | 242.359 g/mol |
| SMILES | CCCCCCCCC(C(OCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.988408 |