| SpectraBase Spectrum ID |
DMF7K6OkWWE |
| Name |
(E)-1,1,1-Trifluoro-4-(4-methoxy-3-methylphenyl)but-3-en-2-one |
| Appearance |
Orange oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.071114081 u |
| Formula |
C12H11F3O2 |
| InChI |
InChI=1S/C12H11F3O2/c1-8-7-9(3-5-10(8)17-2)4-6-11(16)12(13,14)15/h3-7H,1-2H3/b6-4+ |
| InChIKey |
YSBQBMCFZMLVBZ-GQCTYLIASA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201804614 |
| Molecular Weight |
244.213 g/mol |
| Quality |
53 |
| Reported Formula |
C12H11O2F3 |
| SMILES |
C(\C=C\C1=CC=C(C(=C1)C)OC)(=O)C(F)(F)F |
| SPLASH |
splash10-004i-0960000000-b8f00eb97be19098a6e7 |
| Source of Spectrum |
ACI-57-SM25-SI-4e (DOI: 10.1002/anie.201804614) |
| Thin-Layer Chromatography |
0.60 (petroleum ether/EtOAc, 19:1) |
| Wiley ID |
1893070 |
