| SpectraBase Spectrum ID |
2vxM5fygBWD |
| Name |
(E)-3-Phenyl-acrylic acid (4-chloro-phenyl)-[(E)-(3-phenyl-acryloyl)oxy]-methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.097186788 u |
| Formula |
C25H19ClO4 |
| InChI |
InChI=1S/C25H19ClO4/c26-22-15-13-21(14-16-22)25(29-23(27)17-11-19-7-3-1-4-8-19)30-24(28)18-12-20-9-5-2-6-10-20/h1-18,25H/b17-11+,18-12+ |
| InChIKey |
NCBSJBHONBRIAF-JYFOCSDGSA-N |
| Molecular Weight |
418.876 g/mol |
| SMILES |
C(OC(\C=C\C=1C=CC=CC1)=O)(OC(\C=C\C=1C=CC=CC1)=O)C=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848919 |
![(E)-3-Phenyl-acrylic acid (4-chloro-phenyl)-[(E)-(3-phenyl-acryloyl)oxy]-methyl ester](/api/spectrum/2vxM5fygBWD/structure.png?h=300&w=458 "(E)-3-Phenyl-acrylic acid (4-chloro-phenyl)-[(E)-(3-phenyl-acryloyl)oxy]-methyl ester")
