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L-Valine, 4-[(3-chlorobenzoyl)dioxy]-4-oxo-N-(trifluoroacetyl)-, methyl ester, threo-
SpectraBase Compound ID AcVEYjHJ6ki
InChI InChI=1S/C15H13ClF3NO7/c1-7(10(13(23)25-2)20-14(24)15(17,18)19)11(21)26-27-12(22)8-4-3-5-9(16)6-8/h3-7,10H,1-2H3,(H,20,24)/t7?,10-/m0/s1
InChIKey QAROOMWLVJDIDY-MHPPCMCBSA-N
Mol Weight 411.72 g/mol
Molecular Formula C15H13ClF3NO7
Exact Mass 411.033264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBdgkfxGssO
Name L-Valine, 4-[(3-chlorobenzoyl)dioxy]-4-oxo-N-(trifluoroacetyl)-, methyl ester, threo-
CAS Registry Number 115527-73-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13ClF3NO7
InChI InChI=1S/C15H13ClF3NO7/c1-7(10(13(23)25-2)20-14(24)15(17,18)19)11(21)26-27-12(22)8-4-3-5-9(16)6-8/h3-7,10H,1-2H3,(H,20,24)/t7?,10-/m0/s1
InChIKey QAROOMWLVJDIDY-MHPPCMCBSA-N
Molecular Weight 411.717 g/mol
SMILES N(C(C(F)(F)F)=O)[C@@](C(C(OOC(c1cc(Cl)ccc1)=O)=O)C)(C(=O)OC)[H]
SPLASH splash10-052r-0900000000-99ca298069a7a32798e1
Source of Spectrum F-43-5347-13
Synonyms .alpha.-methyl (2S,3S)-N-trifluoroacetyl-3-methylaspartyl-m-chlorobenzoyl peroxide 3-Chlorophenyl{(2S)-3-methoxy-1-methyl-3-oxo-2-[(trifluoroacetyl)amino]propyl}peroxyanhydride
Wiley ID 1373996