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Alanine, N-(4-chlorobenzoyl)-2-methoxy-, methyl ester
SpectraBase Compound ID GR8qKzrbP4P
InChI InChI=1S/C12H14ClNO4/c1-12(18-3,11(16)17-2)14-10(15)8-4-6-9(13)7-5-8/h4-7H,1-3H3,(H,14,15)/t12-/m1/s1
InChIKey CFDAQFVXYZFGNR-GFCCVEGCSA-N
Mol Weight 271.7 g/mol
Molecular Formula C12H14ClNO4
Exact Mass 271.061136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESHqd3da8EW
Name Alanine, N-(4-chlorobenzoyl)-2-methoxy-, methyl ester
CAS Registry Number 125700-22-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14ClNO4
InChI InChI=1S/C12H14ClNO4/c1-12(18-3,11(16)17-2)14-10(15)8-4-6-9(13)7-5-8/h4-7H,1-3H3,(H,14,15)/t12-/m1/s1
InChIKey CFDAQFVXYZFGNR-GFCCVEGCSA-N
Molecular Weight 271.700 g/mol
SMILES N([C@@](C(=O)OC)(OC)C)C(c1ccc(cc1)Cl)=O
SPLASH splash10-01p9-1930000000-0ea6cd8af9abe09f65df
Source of Spectrum F-45-1698-4
Synonyms (.alpha.-methoxy-N-(4-chlorobenzoyl)-alanine methyl ester) Methyl (2R)-2-[(4-chlorobenzoyl)amino]-2-methoxypropanoate Methyl 2-(4-chlorobenzoyl)amino-2-methoxy propionate
Wiley ID 1275109