| SpectraBase Compound ID | C0QFMMWdNwu |
|---|---|
| InChI | InChI=1S/C4H6O4/c5-1-3-2-7-4(6)8-3/h3,5H,1-2H2 |
| InChIKey | JFMGYULNQJPJCY-UHFFFAOYSA-N |
| Mol Weight | 118.09 g/mol |
| Molecular Formula | C4H6O4 |
| Exact Mass | 118.026609 g/mol |
| SpectraBase Spectrum ID | 5A4wJ7PWim9 |
|---|---|
| Name | Jeffsol glycerin carbonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.026608669 u |
| Formula | C4H6O4 |
| InChI | InChI=1S/C4H6O4/c5-1-3-2-7-4(6)8-3/h3,5H,1-2H2 |
| InChIKey | JFMGYULNQJPJCY-UHFFFAOYSA-N |
| Molecular Weight | 118.088 g/mol |
| SMILES | OCC1COC(O1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.907131 |