| SpectraBase Spectrum ID |
2Udsn78SieN |
| Name |
2-(5,5'-Dipropyl-2'-hydroxy-3,3'-dimethoxy-1,1'-biphenyl-2-yloxy)-1-(4-benzyloxy-3-methoxyphenyl)-1-oxopropane-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
614.287968304 u |
| Formula |
C37H42O8 |
| InChI |
InChI=1S/C37H42O8/c1-6-11-25-17-28(36(40)32(19-25)42-4)29-18-26(12-7-2)20-33(43-5)37(29)45-34(22-38)35(39)27-15-16-30(31(21-27)41-3)44-23-24-13-9-8-10-14-24/h8-10,13-21,34,38,40H,6-7,11-12,22-23H2,1-5H3 |
| InChIKey |
IEIBDQSJKJPPHK-UHFFFAOYSA-N |
| Molecular Weight |
614.735 g/mol |
| SMILES |
C=1(C=2C(=C(OC)C=C(C2)CCC)O)C(OC(C(C=2C=C(OC)C(=CC2)OCC=2C=CC=CC2)=O)CO)=C(OC)C=C(C1)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831869 |
