| SpectraBase Compound ID | G8ym3YnZVdL |
|---|---|
| InChI | InChI=1S/C7H16O4/c1-2-11-6-7(3-8,4-9)5-10/h8-10H,2-6H2,1H3 |
| InChIKey | SZQKRUPYZRBRHY-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C7H16O4 |
| Exact Mass | 164.104859 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 27N6apf1nxB |
|---|---|
| Name | 2-(Ethoxymethyl)-2-(hydroxymethyl)-1,3-propanediol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.104858991 u |
| Formula | C7H16O4 |
| InChI | InChI=1S/C7H16O4/c1-2-11-6-7(3-8,4-9)5-10/h8-10H,2-6H2,1H3 |
| InChIKey | SZQKRUPYZRBRHY-UHFFFAOYSA-N |
| Molecular Weight | 164.201 g/mol |
| SMILES | OCC(CO)(COCC)CO |
| Spectrum/Structure Validation Score (Raman) | 0.882652 |