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L-Threonine, N-[(2,4,5-trichlorophenoxy)acetyl]-, methyl ester
SpectraBase Compound ID 4MrfLqtvO6H
InChI InChI=1S/C13H14Cl3NO5/c1-6(18)12(13(20)21-2)17-11(19)5-22-10-4-8(15)7(14)3-9(10)16/h3-4,6,12,18H,5H2,1-2H3,(H,17,19)/t6-,12+/m1/s1
InChIKey DVJHPHVSDJRKGL-INWYIAFRSA-N
Mol Weight 370.62 g/mol
Molecular Formula C13H14Cl3NO5
Exact Mass 368.993756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EiRhSsnfxQb
Name L-Threonine, N-[(2,4,5-trichlorophenoxy)acetyl]-, methyl ester
Alternate Name(s) Methyl (2S,3R)-3-hydroxy-2-{[(2,4,5-trichlorophenoxy)acetyl]amino}butanoate
CAS Registry Number 66789-90-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14Cl3NO5
InChI InChI=1S/C13H14Cl3NO5/c1-6(18)12(13(20)21-2)17-11(19)5-22-10-4-8(15)7(14)3-9(10)16/h3-4,6,12,18H,5H2,1-2H3,(H,17,19)/t6-,12+/m1/s1
InChIKey DVJHPHVSDJRKGL-INWYIAFRSA-N
Molecular Weight 370.616 g/mol
SMILES N([C@@]([C@](O)(C)[H])(C(=O)OC)[H])C(=O)COc1cc(Cl)c(cc1Cl)Cl
SPLASH splash10-0007-5790000000-c8ef91c754e661dafdc0
Source of Spectrum W5-32039-0-0
Wiley ID 1353505