| SpectraBase Spectrum ID |
8JugCOONJEY |
| Name |
1-o-Acetyl-3-o-benzylpropane-1,2,3-triol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837054 |
