| SpectraBase Spectrum ID |
A0gMiIfNdtL |
| Name |
(3S)-1,1,1-trifluoro-6-(4-methoxyphenyl)-3-methyl-hexan-2-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.118064274 u |
| Formula |
C14H17F3O2 |
| InChI |
InChI=1S/C14H17F3O2/c1-10(13(18)14(15,16)17)4-3-5-11-6-8-12(19-2)9-7-11/h6-10H,3-5H2,1-2H3/t10-/m0/s1 |
| InChIKey |
QHDVXZAMJGWQEK-JTQLQIEISA-N |
| Instrument Name |
Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201800792 |
| Molecular Weight |
274.283 g/mol |
| Optical Rotation |
[a]D23 = 110.7 (c = 0.46, CDCl3) |
| Quality |
129 |
| Reported Formula |
C14H17O2F3 |
| SMILES |
C([C@](C)(C(=O)C(F)(F)F)[H])CCC1=CC=C(C=C1)OC |
| SPLASH |
splash10-00di-0910000000-53f77b30dc6f18cac358 |
| Sample Comments |
91.0% ee |
| Source of Spectrum |
ACI-57-SM48-S-10b (DOI: 10.1002/anie.201800792) |
| Wiley ID |
1890746 |
