| SpectraBase Compound ID | 3HFm4QrI6My |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-11(13)15-9-7-5-3-4-6-8-10-16-12(2)14/h3-4H,5-10H2,1-2H3 |
| InChIKey | OKJUOWUYZJEYMS-UHFFFAOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9MHJNQwjcB7 |
|---|---|
| Name | 4-Octene-1,8-diol, diacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.136159120 u |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c1-11(13)15-9-7-5-3-4-6-8-10-16-12(2)14/h3-4H,5-10H2,1-2H3 |
| InChIKey | OKJUOWUYZJEYMS-UHFFFAOYSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | CC(OCCCC=CCCCOC(C)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.964396 |