| SpectraBase Compound ID | 2sPweY8akcP |
|---|---|
| InChI | InChI=1S/C12H16O4/c1-10(13)16-9-12(14)8-15-7-11-5-3-2-4-6-11/h2-6,12,14H,7-9H2,1H3/t12-/m1/s1 |
| InChIKey | VVZFZQPMMMTEQX-GFCCVEGCSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C12H16O4 |
| Exact Mass | 224.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6M8N5iFpCSd |
|---|---|
| Name | 1-o-Acetyl-3-o-benzylpropane-1,2,3-triol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.104858991 u |
| Formula | C12H16O4 |
| InChI | InChI=1S/C12H16O4/c1-10(13)16-9-12(14)8-15-7-11-5-3-2-4-6-11/h2-6,12,14H,7-9H2,1H3/t12-/m1/s1 |
| InChIKey | VVZFZQPMMMTEQX-GFCCVEGCSA-N |
| Molecular Weight | 224.256 g/mol |
| SMILES | C(=O)(OC[C@](O)(COCC1=CC=CC=C1)[H])C |