| SpectraBase Spectrum ID |
B3DiPHgpzLz |
| Name |
2-(5,5'-Dipropyl-2'-hydroxy-3,3'-dimethoxy-1,1'-biphenyl-2-yloxy)-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
526.256668176 u |
| Formula |
C30H38O8 |
| InChI |
InChI=1S/C30H38O8/c1-6-8-18-12-21(29(34)25(14-18)36-4)22-13-19(9-7-2)15-26(37-5)30(22)38-27(17-31)28(33)20-10-11-23(32)24(16-20)35-3/h10-16,27-28,31-34H,6-9,17H2,1-5H3 |
| InChIKey |
ZXNJBUBKYRLHEQ-UHFFFAOYSA-N |
| Molecular Weight |
526.626 g/mol |
| SMILES |
C=1(C=2C(=C(OC)C=C(C2)CCC)O)C(OC(C(C=2C=C(OC)C(=CC2)O)O)CO)=C(OC)C=C(C1)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955262 |
