| SpectraBase Compound ID | K4ZoLEaeB8i |
|---|---|
| InChI | InChI=1S/C5H8O3/c1-4(6)8-5-2-7-3-5/h5H,2-3H2,1H3 |
| InChIKey | YHJXPVYNNYIEDO-UHFFFAOYSA-N |
| Mol Weight | 116.12 g/mol |
| Molecular Formula | C5H8O3 |
| Exact Mass | 116.047344 g/mol |
| SpectraBase Spectrum ID | 6z8ytLYzsvc |
|---|---|
| Name | 1,3-Epoxy-2-propanol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.047344115 u |
| Formula | C5H8O3 |
| InChI | InChI=1S/C5H8O3/c1-4(6)8-5-2-7-3-5/h5H,2-3H2,1H3 |
| InChIKey | YHJXPVYNNYIEDO-UHFFFAOYSA-N |
| Molecular Weight | 116.116 g/mol |
| SMILES | CC(=O)OC1COC1 |
| Spectrum/Structure Validation Score (Raman) | 0.959573 |