| SpectraBase Compound ID | LCRCvinuba2 |
|---|---|
| InChI | InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2 |
| InChIKey | YPFDHNVEDLHUCE-UHFFFAOYSA-N |
| Mol Weight | 76.09 g/mol |
| Molecular Formula | C3H8O2 |
| Exact Mass | 76.052429 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6lliJjqqzOB |
|---|---|
| Name | 1,3-Propanediol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 76.052429496 u |
| Formula | C3H8O2 |
| InChI | InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2 |
| InChIKey | YPFDHNVEDLHUCE-UHFFFAOYSA-N |
| SMILES | OCCCO |
| Spectrum/Structure Validation Score (Raman) | 0.989285 |