| SpectraBase Compound ID | JYa2b6tb3LW |
|---|---|
| InChI | InChI=1S/C8H14O5/c1-6(10)12-4-3-8(5-9)13-7(2)11/h8-9H,3-5H2,1-2H3 |
| InChIKey | WJPWFMOVDNJVNE-UHFFFAOYSA-N |
| Mol Weight | 190.19 g/mol |
| Molecular Formula | C8H14O5 |
| Exact Mass | 190.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GnurVF2N8mA |
|---|---|
| Name | (S)-(-)-1,2,4-butanetriol, 2,4-di(acetate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.084123546 u |
| Formula | C8H14O5 |
| InChI | InChI=1S/C8H14O5/c1-6(10)12-4-3-8(5-9)13-7(2)11/h8-9H,3-5H2,1-2H3 |
| InChIKey | WJPWFMOVDNJVNE-UHFFFAOYSA-N |
| Molecular Weight | 190.195 g/mol |
| SMILES | C(O)C(CCOC(C)=O)OC(C)=O |