| SpectraBase Compound ID | KPtQokNRldn |
|---|---|
| InChI | InChI=1S/C8H12O5/c1-5(9)11-3-7-8(13-7)4-12-6(2)10/h7-8H,3-4H2,1-2H3 |
| InChIKey | ZCNLOFYSBLYNSY-UHFFFAOYSA-N |
| Mol Weight | 188.18 g/mol |
| Molecular Formula | C8H12O5 |
| Exact Mass | 188.068473 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7PkoCn03wPT |
|---|---|
| Name | 2,3-Oxiranedimethanol, diacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.068473481 u |
| Formula | C8H12O5 |
| InChI | InChI=1S/C8H12O5/c1-5(9)11-3-7-8(13-7)4-12-6(2)10/h7-8H,3-4H2,1-2H3 |
| InChIKey | ZCNLOFYSBLYNSY-UHFFFAOYSA-N |
| Molecular Weight | 188.179 g/mol |
| SMILES | CC(OCC1C(COC(C)=O)O1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.982961 |