| SpectraBase Compound ID | FFGc8iiVcoJ |
|---|---|
| InChI | InChI=1S/C13H24O2/c1-5-15-13(14)10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3 |
| InChIKey | WSLIEXAWGLOUSC-UHFFFAOYSA-N |
| Mol Weight | 212.33 g/mol |
| Molecular Formula | C13H24O2 |
| Exact Mass | 212.17763 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JVx4rgXvL11 |
|---|---|
| Name | 7-Nonenoic acid, 4,8-dimethyl-, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.177630011 u |
| Formula | C13H24O2 |
| InChI | InChI=1S/C13H24O2/c1-5-15-13(14)10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3 |
| InChIKey | WSLIEXAWGLOUSC-UHFFFAOYSA-N |
| Molecular Weight | 212.333 g/mol |
| SMILES | C(=CCCC(CCC(OCC)=O)C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.937676 |