| SpectraBase Spectrum ID |
LcUB7MQ4MYi |
| Name |
[(E)-1-[2-(4-chlorophenyl)ethynyl]-6-oxo-6-phenyl-hex-4-enyl] 2,2-dimethylpropanoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H25ClO3 |
| InChI |
InChI=1S/C25H25ClO3/c1-25(2,3)24(28)29-22(18-15-19-13-16-21(26)17-14-19)11-7-8-12-23(27)20-9-5-4-6-10-20/h4-6,8-10,12-14,16-17,22H,7,11H2,1-3H3/b12-8+ |
| InChIKey |
DAEKSSIJSMQHTM-XYOKQWHBSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201601599 |
| Molecular Weight |
408.925 g/mol |
| Quality |
13 |
| Reported Formula |
C25H25O3Cl |
| SMILES |
C=1C(Cl)=CC=C(C#CC(OC(C(C)(C)C)=O)CC\C=C\C(C2=CC=CC=C2)=O)C1 |
| SPLASH |
splash10-0a4i-9000000000-3f979a5a82ec557199d2 |
| Source of Spectrum |
QE-22-SM35-3m (DOI: 10.1002/chem.201601599) |
| Wiley ID |
1904893 |
![[(E)-1-[2-(4-chlorophenyl)ethynyl]-6-oxo-6-phenyl-hex-4-enyl] 2,2-dimethylpropanoate](/api/spectrum/LcUB7MQ4MYi/structure.png?h=300&w=458 "[(E)-1-[2-(4-chlorophenyl)ethynyl]-6-oxo-6-phenyl-hex-4-enyl] 2,2-dimethylpropanoate")
