| SpectraBase Spectrum ID |
FfAdYkaOdjT |
| Name |
Methyl 4-(2-benzoyl-4-oxo-4-phenylbut-2-enoyl)benzoate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H18O5 |
| InChI |
InChI=1S/C25H18O5/c1-30-25(29)20-14-12-19(13-15-20)24(28)21(23(27)18-10-6-3-7-11-18)16-22(26)17-8-4-2-5-9-17/h2-16H,1H3 |
| InChIKey |
ZJJVFEZXMMZJHK-UHFFFAOYSA-N |
| Instrument Name |
Simadzu GC-MS QP5050 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.13.176 |
| Molecular Weight |
398.414 g/mol |
| Reported Formula |
C25H18O5 |
| SMILES |
COC(c1ccc(cc1)C(C(=CC(c1ccccc1)=O)C(c1ccccc1)=O)=O)=O |
| SPLASH |
splash10-0a4i-0913000000-61036791735e8de1262f |
| Sample Comments |
mixture of E/Z (59:41) |
| Source of Spectrum |
BJO-13-SM7-4ak |
| Thin-Layer Chromatography |
Rf = 0.56 (hexane / EtOAc, 5 :1) |
| Wiley ID |
1848238 |
