| SpectraBase Spectrum ID |
4wvfjWlGF6A |
| Name |
1,4-bis(4-Benzyloxy-3,5-dimethoxyphenyl)-2,3-dimethylbut-2-ene (1.3:1 (E)/(Z) mixture) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
568.282489002 u |
| Formula |
C36H40O6 |
| InChI |
InChI=1S/C36H40O6/c1-25(17-29-19-31(37-3)35(32(20-29)38-4)41-23-27-13-9-7-10-14-27)26(2)18-30-21-33(39-5)36(34(22-30)40-6)42-24-28-15-11-8-12-16-28/h7-16,19-22H,17-18,23-24H2,1-6H3/b26-25+ |
| InChIKey |
ITLVYNROPCYYCJ-OCEACIFDSA-N |
| Molecular Weight |
568.710 g/mol |
| SMILES |
C=1(C(=CC(=CC1OC)C\C(=C\(CC1=CC(OC)=C(C(=C1)OC)OCC1=CC=CC=C1)C)C)OC)OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94253 |
