| SpectraBase Compound ID | GjxrdZXCI7e |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-3-5-6-7-8-11(14)10-12(15)13(16)17-9-4-2/h3-10H2,1-2H3 |
| InChIKey | RRBYCTLNAWRMTC-UHFFFAOYSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BCJJfS9DBVR |
|---|---|
| Name | 2,4-Dioxodecanoic acid, propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.151809184 u |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c1-3-5-6-7-8-11(14)10-12(15)13(16)17-9-4-2/h3-10H2,1-2H3 |
| InChIKey | RRBYCTLNAWRMTC-UHFFFAOYSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C(=O)(CC(=O)C(=O)OCCC)CCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.993646 |