| SpectraBase Spectrum ID |
AiQ9HYw4sRJ |
| Name |
2-Benzoyl-4-phenyl-1-(thiophen-2-yl)but-2-ene-1,4-dione |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H14O3S |
| InChI |
InChI=1S/C21H14O3S/c22-18(15-8-3-1-4-9-15)14-17(21(24)19-12-7-13-25-19)20(23)16-10-5-2-6-11-16/h1-14H |
| InChIKey |
KRVOJYYUQFEBEF-UHFFFAOYSA-N |
| Instrument Name |
Simadzu GC-MS QP5050 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.13.176 |
| Molecular Weight |
346.400 g/mol |
| Reported Formula |
C21H14O3S |
| SMILES |
c1(ccccc1)C(=O)C(C(=O)c1sccc1)=CC(=O)c1ccccc1 |
| SPLASH |
splash10-0a4j-0920000000-63e6f97e4d5fe325170d |
| Sample Comments |
mixture of E/Z (67:33) |
| Source of Spectrum |
BJO-13-SM8-4an |
| Thin-Layer Chromatography |
Rf = 0.24 (hexane / EtOAc, 5 :1) |
| Wiley ID |
1848241 |
