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methyl (2S)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoate
SpectraBase Compound ID FTxrFRco26m
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
Mol Weight 280.22 g/mol
Molecular Formula C12H12F4O3
Exact Mass 280.072257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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