| SpectraBase Compound ID | CrgmkMESdTG |
|---|---|
| InChI | InChI=1S/C14H24O4/c1-3-5-7-12(15)10-11-13(16)8-6-9-14(17)18-4-2/h3-11H2,1-2H3 |
| InChIKey | ROLAUVXCYUNGCF-UHFFFAOYSA-N |
| Mol Weight | 256.34 g/mol |
| Molecular Formula | C14H24O4 |
| Exact Mass | 256.167459 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6mWoNnYdRsF |
|---|---|
| Name | Ethyl 5,8-dioxododecanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.167459249 u |
| Formula | C14H24O4 |
| InChI | InChI=1S/C14H24O4/c1-3-5-7-12(15)10-11-13(16)8-6-9-14(17)18-4-2/h3-11H2,1-2H3 |
| InChIKey | ROLAUVXCYUNGCF-UHFFFAOYSA-N |
| Molecular Weight | 256.342 g/mol |
| SMILES | C(CCCC(CCC(CCCC)=O)=O)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98446 |