| SpectraBase Compound ID | ICkxwUsAGbP |
|---|---|
| InChI | InChI=1S/C13H24O4/c1-3-4-5-6-7-8-9-10-16-13(15)11-17-12(2)14/h3-11H2,1-2H3 |
| InChIKey | XTGNORUZGLCPJZ-UHFFFAOYSA-N |
| Mol Weight | 244.33 g/mol |
| Molecular Formula | C13H24O4 |
| Exact Mass | 244.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9EeZ0dDMa5i |
|---|---|
| Name | Acetoxyacetic acid, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.167459249 u |
| Formula | C13H24O4 |
| InChI | InChI=1S/C13H24O4/c1-3-4-5-6-7-8-9-10-16-13(15)11-17-12(2)14/h3-11H2,1-2H3 |
| InChIKey | XTGNORUZGLCPJZ-UHFFFAOYSA-N |
| Molecular Weight | 244.331 g/mol |
| SMILES | C(C)(OCC(OCCCCCCCCC)=O)=O |