| SpectraBase Spectrum ID |
CUDieZBfW3Z |
| Name |
(R)-Methyl 3-Allyl-4-oxo-1-(trifluoroacetyl)piperidine-3-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
293.087492420 u |
| Formula |
C12H14F3NO4 |
| InChI |
InChI=1S/C12H14F3NO4/c1-3-5-11(10(19)20-2)7-16(6-4-8(11)17)9(18)12(13,14)15/h3H,1,4-7H2,2H3/t11-/m1/s1 |
| InChIKey |
MCRHUGWMURMIGU-LLVKDONJSA-N |
| Instrument Name |
Thermo Scientific DFS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201801102 |
| Molecular Weight |
293.242 g/mol |
| Optical Rotation |
[a]D20 = -55.4 (c = 1.83 g/L, CH2Cl2) |
| Quality |
253 |
| Reported Formula |
C12H14F3NO4 |
| SMILES |
C1C(=O)[C@](CC=C)(C(=O)OC)CN(C(C(F)(F)F)=O)C1 |
| SPLASH |
splash10-0kmi-5090000000-8d326f8e28b1b62528a6 |
| Sample Comments |
88% ee |
| Source of Spectrum |
K1-2018-5528-7b (DOI: 10.1002/ejoc.201801102) |
| Thin-Layer Chromatography |
0.21 (SiO2, hexanes/MTBE, 2:1) |
| Wiley ID |
1894365 |
