| SpectraBase Compound ID | 6RCeXcTFb2s |
|---|---|
| InChI | InChI=1S/C8H12O6/c1-5(9)12-4-8(13-6(2)10)14-7(3)11/h8H,4H2,1-3H3 |
| InChIKey | AAGNGQHUXRGJEP-UHFFFAOYSA-N |
| Mol Weight | 204.18 g/mol |
| Molecular Formula | C8H12O6 |
| Exact Mass | 204.063388 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | E6WSwVMWWlI |
|---|---|
| Name | 1,1,2-Ethanetriol, triacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.063388100 u |
| Formula | C8H12O6 |
| InChI | InChI=1S/C8H12O6/c1-5(9)12-4-8(13-6(2)10)14-7(3)11/h8H,4H2,1-3H3 |
| InChIKey | AAGNGQHUXRGJEP-UHFFFAOYSA-N |
| Molecular Weight | 204.178 g/mol |
| SMILES | C(=O)(C)OCC(OC(=O)C)OC(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.822056 |