SpectraBase Spectrum ID |
D5oQfSPoGf7 |
Name |
(E)-1-[3,4-bis(Hexyloxy)phenyl]-2-(3,5-dimethoxyphenyl)ethene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
440.292659764 u |
Formula |
C28H40O4 |
InChI |
InChI=1S/C28H40O4/c1-5-7-9-11-17-31-27-16-15-23(21-28(27)32-18-12-10-8-6-2)13-14-24-19-25(29-3)22-26(20-24)30-4/h13-16,19-22H,5-12,17-18H2,1-4H3/b14-13+ |
InChIKey |
NLVGVYCWLVBNKO-BUHFOSPRSA-N |
Molecular Weight |
440.624 g/mol |
SMILES |
C=1(C(=CC=C(\C=C\C2=CC(OC)=CC(=C2)OC)C1)OCCCCCC)OCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958371 |