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L-Phenylalanine, N-[(2,4,5-trichlorophenoxy)acetyl]-, methyl ester
SpectraBase Compound ID iBMu84q5jv
InChI InChI=1S/C18H16Cl3NO4/c1-25-18(24)15(7-11-5-3-2-4-6-11)22-17(23)10-26-16-9-13(20)12(19)8-14(16)21/h2-6,8-9,15H,7,10H2,1H3,(H,22,23)
InChIKey VKYBUNYPCXQEIN-UHFFFAOYSA-N
Mol Weight 416.69 g/mol
Molecular Formula C18H16Cl3NO4
Exact Mass 415.014491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPU8WsSHY
Name L-Phenylalanine, N-[(2,4,5-trichlorophenoxy)acetyl]-, methyl ester
CAS Registry Number 66789-96-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16Cl3NO4
InChI InChI=1S/C18H16Cl3NO4/c1-25-18(24)15(7-11-5-3-2-4-6-11)22-17(23)10-26-16-9-13(20)12(19)8-14(16)21/h2-6,8-9,15H,7,10H2,1H3,(H,22,23)
InChIKey VKYBUNYPCXQEIN-UHFFFAOYSA-N
Molecular Weight 416.688 g/mol
SMILES N(C(Cc1ccccc1)C(=O)OC)C(COc1cc(c(cc1Cl)Cl)Cl)=O
SPLASH splash10-07vl-4970000000-a7f17ad555e5d479d222
Source of Spectrum W5-34231-31305-31305
Synonyms Methyl 3-phenyl-2-([(2,4,5-trichlorophenoxy)acetyl]amino)propanoate 2-[[1-oxo-2-(2,4,5-trichlorophenoxy)ethyl]amino]-3-phenylpropanoic acid methyl ester 3-Phenyl-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propionic acid methyl ester Methyl 3-phenyl-2-[2-[2,4,5-tris(chloranyl)phenoxy]ethanoylamino]propanoate Methyl 3-phenyl-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoate
Wiley ID 1375894