| SpectraBase Compound ID | LCudc5zsimx |
|---|---|
| InChI | InChI=1S/C10H16O6/c1-7(11)14-5-4-10(16-9(3)13)6-15-8(2)12/h10H,4-6H2,1-3H3 |
| InChIKey | RPOOYSKKKVGNAP-UHFFFAOYSA-N |
| Mol Weight | 232.23 g/mol |
| Molecular Formula | C10H16O6 |
| Exact Mass | 232.094688 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6CpO0d5oydj |
|---|---|
| Name | 1,2,4-Butanetriol, triacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.094688229 u |
| Formula | C10H16O6 |
| InChI | InChI=1S/C10H16O6/c1-7(11)14-5-4-10(16-9(3)13)6-15-8(2)12/h10H,4-6H2,1-3H3 |
| InChIKey | RPOOYSKKKVGNAP-UHFFFAOYSA-N |
| Molecular Weight | 232.232 g/mol |
| SMILES | C(=O)(OC(CCOC(C)=O)COC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962987 |