| SpectraBase Compound ID | 5jTajcWiHXP |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-9(7-15-11(3)13)5-6-10(2)8-16-12(4)14/h9-10H,5-8H2,1-4H3 |
| InChIKey | YQQPADUOKRFGKM-UHFFFAOYSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LP7SqBvf7Ld |
|---|---|
| Name | 2,5-Dimethyl-1,6-hexanediol, diacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.151809184 u |
| Formula | C12H22O4 |
| InChI | InChI=1S/C12H22O4/c1-9(7-15-11(3)13)5-6-10(2)8-16-12(4)14/h9-10H,5-8H2,1-4H3 |
| InChIKey | YQQPADUOKRFGKM-UHFFFAOYSA-N |
| Molecular Weight | 230.304 g/mol |
| SMILES | CC(OCC(CCC(COC(C)=O)C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.917945 |