SpectraBase Spectrum ID |
EBZ4dFMH9BA |
Name |
methyl (2S)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoate |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
280.072256895 u |
Formula |
C12H12F4O3 |
GC Column |
HP-5 (30 m x 0.25 mm, film thickness 0.25 micrometer) |
GC Oven Program |
Oven temp 280oC |
InChI |
InChI=1S/C12H12F4O3/c1-3-10(11(17)18-2)19-7-4-5-9(13)8(6-7)12(14,15)16/h4-6,10H,3H2,1-2H3/t10-/m0/s1 |
InChIKey |
BJNAXDNYXSHBTG-JTQLQIEISA-N |
Instrument Name |
HP 7890A GC-MS |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/ejoc.202200609 |
Molecular Weight |
280.219 g/mol |
SMILES |
C1(C(F)(F)F)=CC(=CC=C1F)O[C@@](CC)(C(=O)OC)[H] |
SPLASH |
splash10-0089-0590000000-9fab8d56a74b43f1c8cf |
Source of Spectrum |
K1-2022-SM7-7-1 (DOI: 10.1002/ejoc.202200609) |
Wiley ID |
1900796 |