| SpectraBase Compound ID | H6Qn4NNvReg |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-3-14-10(12)8-6-5-7-9-11(13)15-4-2/h3-9H2,1-2H3 |
| InChIKey | LKKOGZVQGQUVHF-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C11H20O4 |
| Exact Mass | 216.136159 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | G5xaOnnQ5lH |
|---|---|
| Name | Pimelic acid, diethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.136159120 u |
| Formula | C11H20O4 |
| InChI | InChI=1S/C11H20O4/c1-3-14-10(12)8-6-5-7-9-11(13)15-4-2/h3-9H2,1-2H3 |
| InChIKey | LKKOGZVQGQUVHF-UHFFFAOYSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | CCOC(CCCCCC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.981532 |