| SpectraBase Spectrum ID |
CifHoYMdMyz |
| Name |
(E,E)-3-[2,5-Dipropoxy-4-(3-oxo-3-phenylpropenyl)phenyl]-1-phenyl-prop-2-en-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.214409442 u |
| Formula |
C30H30O4 |
| InChI |
InChI=1S/C30H30O4/c1-3-19-33-29-21-26(16-18-28(32)24-13-9-6-10-14-24)30(34-20-4-2)22-25(29)15-17-27(31)23-11-7-5-8-12-23/h5-18,21-22H,3-4,19-20H2,1-2H3/b17-15+,18-16+ |
| InChIKey |
PYXCXDNOGFHXJZ-YTEMWHBBSA-N |
| Molecular Weight |
454.566 g/mol |
| SMILES |
C=1C=C(C=CC1)C(\C=C\C1=CC(=C(\C=C\C(C2=CC=CC=C2)=O)C=C1OCCC)OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899552 |
![(E,E)-3-[2,5-Dipropoxy-4-(3-oxo-3-phenylpropenyl)phenyl]-1-phenyl-prop-2-en-1-one](/api/spectrum/CifHoYMdMyz/structure.png?h=300&w=458 "(E,E)-3-[2,5-Dipropoxy-4-(3-oxo-3-phenylpropenyl)phenyl]-1-phenyl-prop-2-en-1-one")
