| SpectraBase Spectrum ID |
I0PQ4Dr9ULQ |
| Name |
Ethyl (S)-4,4,4-trifluoro-3-(4-methoxyphenyl)butanoate |
| Appearance |
Colourless oil |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15F3O3 |
| InChI |
InChI=1S/C13H15F3O3/c1-3-19-12(17)8-11(13(14,15)16)9-4-6-10(18-2)7-5-9/h4-7,11H,3,8H2,1-2H3/t11-/m0/s1 |
| InChIKey |
HOVJABAKBQAHLO-NSHDSACASA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202202059 |
| Molecular Weight |
276.255 g/mol |
| Optical Rotation |
[a]D26 = +16.8 (c = 0.25, CHCl3) |
| SMILES |
C(C)OC(C[C@](C(F)(F)F)(C1=CC=C(C=C1)OC)[H])=O |
| SPLASH |
splash10-005i-0970000000-aff03fca7c4e500c0317 |
| Source of Spectrum |
QE-28-SM33-9a (DOI: 10.1002/chem.202202059) |
| Wiley ID |
1900723 |
