| SpectraBase Spectrum ID |
1U4ut99QlP |
| Name |
1-(4-Benzyloxy-3-methoxyphenyl)-2-(5,5'-dipropyl-3,3'-dimethoxy-2'-hydroxy-1,1'-biphenyl-2-yloxy)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
584.277403621 u |
| Formula |
C36H40O7 |
| InChI |
InChI=1S/C36H40O7/c1-6-11-25-17-28(35(38)33(19-25)40-4)29-18-26(12-7-2)20-34(41-5)36(29)43-23-30(37)27-15-16-31(32(21-27)39-3)42-22-24-13-9-8-10-14-24/h8-10,13-21,38H,6-7,11-12,22-23H2,1-5H3 |
| InChIKey |
OLKURBNMBUSGNK-UHFFFAOYSA-N |
| Molecular Weight |
584.709 g/mol |
| SMILES |
C=1(C=2C(=C(OC)C=C(C2)CCC)O)C(=C(OC)C=C(C1)CCC)OCC(C=1C=C(OC)C(=CC1)OCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965722 |
