| SpectraBase Spectrum ID |
GPnybFR34Ke |
| Name |
2-(4-Hydroxybenzyl)-3-(3,4-dimethoxybenzyl)-1.4-butanediol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.178023932 u |
| Formula |
C20H26O5 |
| InChI |
InChI=1S/C20H26O5/c1-24-19-8-5-15(11-20(19)25-2)10-17(13-22)16(12-21)9-14-3-6-18(23)7-4-14/h3-8,11,16-17,21-23H,9-10,12-13H2,1-2H3 |
| InChIKey |
CGDVUEHUGUONFZ-UHFFFAOYSA-N |
| Molecular Weight |
346.423 g/mol |
| SMILES |
C(C(C(CO)CC=1C=C(C(=CC1)OC)OC)CC=1C=CC(=CC1)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967128 |
