| SpectraBase Spectrum ID |
BORtRqceH1 |
| Name |
Ethyl 9-oxo-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H15F3O3 |
| InChI |
InChI=1S/C15H15F3O3/c1-2-21-14(20)11-4-3-5-13(19)10-7-6-9(8-12(10)11)15(16,17)18/h6-8,11H,2-5H2,1H3 |
| InChIKey |
LIWJIFMBNSZMIP-UHFFFAOYSA-N |
| Instrument Name |
Thermo Scientific DFS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201905570 |
| Molecular Weight |
300.277 g/mol |
| Reported Formula |
C15H15O3F3 |
| SMILES |
C1CCC(c2c(C1=O)ccc(c2)C(F)(F)F)C(OCC)=O |
| SPLASH |
splash10-0ufs-2592000000-07a25b494c98343d8a96 |
| Source of Spectrum |
QE-26-SM11-2l |
| Thin-Layer Chromatography |
Rf = 0.15 (n-pentane/Et2O, 10:1) |
| Wiley ID |
1858615 |
