| SpectraBase Spectrum ID |
G94xCt828zn |
| Name |
(E)-1,1,1-Trifluoro-4-(4-methoxy-3-methylphenyl)but-3-en-2-ol |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.086764146 u |
| Formula |
C12H13F3O2 |
| InChI |
InChI=1S/C12H13F3O2/c1-8-7-9(3-5-10(8)17-2)4-6-11(16)12(13,14)15/h3-7,11,16H,1-2H3/b6-4+ |
| InChIKey |
IPKQOFMQOLJJSJ-GQCTYLIASA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201804614 |
| Molecular Weight |
246.229 g/mol |
| Quality |
386 |
| Reported Formula |
C12H13O2F3 |
| SMILES |
OC(\C=C\C1=CC=C(C(=C1)C)OC)C(F)(F)F |
| SPLASH |
splash10-05ot-7940000000-063f02e2fe6c435021bf |
| Source of Spectrum |
ACI-57-SM27-SI-5e (DOI: 10.1002/anie.201804614) |
| Thin-Layer Chromatography |
0.40 (petroleum ether/EtOAc, 8:2) |
| Wiley ID |
1893073 |
