| SpectraBase Spectrum ID |
HiP2Uv5wfgb |
| Name |
1-Phenyl-propane-2,2-diol diethanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.104858991 u |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c1-10(14)16-13(3,17-11(2)15)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3 |
| InChIKey |
RIQFKGLNHZRGFQ-UHFFFAOYSA-N |
| Molecular Weight |
236.267 g/mol |
| SMILES |
C1(=CC=CC=C1)CC(OC(=O)C)(C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932634 |
