| SpectraBase Compound ID | 94JHnMw7QOd |
|---|---|
| InChI | InChI=1S/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3 |
| InChIKey | KMZHZAAOEWVPSE-UHFFFAOYSA-N |
| Mol Weight | 134.13 g/mol |
| Molecular Formula | C5H10O4 |
| Exact Mass | 134.057909 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | C4hden1KUnv |
|---|---|
| Name | 1-Monoacetin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 134.057908798 u |
| Formula | C5H10O4 |
| InChI | InChI=1S/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3 |
| InChIKey | KMZHZAAOEWVPSE-UHFFFAOYSA-N |
| Molecular Weight | 134.131 g/mol |
| SMILES | OCC(COC(C)=O)O |
| Spectrum/Structure Validation Score (Raman) | 0.865623 |