| SpectraBase Spectrum ID |
Hp6ivMIX4zw |
| Name |
(E)-3-Hydroxy-4-{4-[2-(3,4,5-tri(N-propoxy)phenyl)ethenyl]phenyl}cyclobut-3-ene-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.204238680 u |
| Formula |
C27H30O6 |
| InChI |
InChI=1S/C27H30O6/c1-4-13-31-21-16-19(17-22(32-14-5-2)27(21)33-15-6-3)8-7-18-9-11-20(12-10-18)23-24(28)26(30)25(23)29/h7-12,16-17,28H,4-6,13-15H2,1-3H3/b8-7+ |
| InChIKey |
UMPAKUNIYAPRJL-BQYQJAHWSA-N |
| Molecular Weight |
450.531 g/mol |
| SMILES |
C=1(C2=C(C(C2=O)=O)O)C=CC(\C=C\C2=CC(=C(OCCC)C(OCCC)=C2)OCCC)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87689 |
![(E)-3-Hydroxy-4-{4-[2-(3,4,5-tri(n-propoxy)phenyl)ethenyl]phenyl}cyclobut-3-ene-dione](/api/spectrum/Hp6ivMIX4zw/structure.png?h=300&w=458 "(E)-3-Hydroxy-4-{4-[2-(3,4,5-tri(n-propoxy)phenyl)ethenyl]phenyl}cyclobut-3-ene-dione")
