| SpectraBase Spectrum ID |
E3sevafNjds |
| Name |
3-[3,3'-Dimethyl-4'-(4-methylbenzyloxy)biphenyl-4-yloxy]propane-1,2-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.198759378 u |
| Formula |
C25H28O4 |
| InChI |
InChI=1S/C25H28O4/c1-17-4-6-20(7-5-17)15-28-24-10-8-21(12-18(24)2)22-9-11-25(19(3)13-22)29-16-23(27)14-26/h4-13,23,26-27H,14-16H2,1-3H3 |
| InChIKey |
GIBKFTYGCIOKOF-UHFFFAOYSA-N |
| Molecular Weight |
392.495 g/mol |
| SMILES |
C(C(COC=1C(=CC(=CC1)C=1C=C(C(=CC1)OCC=1C=CC(=CC1)C)C)C)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938721 |
![3-[3,3'-Dimethyl-4'-(4-methylbenzyloxy)biphenyl-4-yloxy]propane-1,2-diol](/api/spectrum/E3sevafNjds/structure.png?h=300&w=458 "3-[3,3'-Dimethyl-4'-(4-methylbenzyloxy)biphenyl-4-yloxy]propane-1,2-diol")
