| SpectraBase Spectrum ID |
3t5ijuujxBe |
| Name |
Diethyl 2-(p-methoxybenzyl)-2-(hydroxymethyl)propane-1,3-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.120509056 u |
| Formula |
C12H18O4 |
| InChI |
InChI=1S/C12H18O4/c1-16-11-4-2-10(3-5-11)6-12(7-13,8-14)9-15/h2-5,13-15H,6-9H2,1H3 |
| InChIKey |
LQIUQEMDDPAPFN-UHFFFAOYSA-N |
| Molecular Weight |
226.272 g/mol |
| SMILES |
C(CC=1C=CC(=CC1)OC)(CO)(CO)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918462 |
