| SpectraBase Spectrum ID |
4Oh4690tNSU |
| Name |
5-[(E)-2-(3,4,5-Trihexoxyphenyl)ethenyl]benzene-1,3-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
512.350174641 u |
| Formula |
C32H48O5 |
| InChI |
InChI=1S/C32H48O5/c1-4-7-10-13-18-35-30-23-27(17-16-26-21-28(33)25-29(34)22-26)24-31(36-19-14-11-8-5-2)32(30)37-20-15-12-9-6-3/h16-17,21-25,33-34H,4-15,18-20H2,1-3H3/b17-16+ |
| InChIKey |
OXPCACRNIMCARY-WUKNDPDISA-N |
| Molecular Weight |
512.731 g/mol |
| SMILES |
C=1(C(=CC(\C=C\C=2C=C(O)C=C(C2)O)=CC1OCCCCCC)OCCCCCC)OCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95891 |
![5-[(E)-2-(3,4,5-trihexoxyphenyl)ethenyl]benzene-1,3-diol](/api/spectrum/4Oh4690tNSU/structure.png?h=300&w=458 "5-[(E)-2-(3,4,5-trihexoxyphenyl)ethenyl]benzene-1,3-diol")
