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(S)-Methyl 2-chloroacetamido-3-(3,4-dihydroxyphenyl)propanoate
SpectraBase Compound ID 2Yd3PCnoawF
InChI InChI=1S/C12H14ClNO5/c1-19-12(18)8(14-11(17)6-13)4-7-2-3-9(15)10(16)5-7/h2-3,5,8,15-16H,4,6H2,1H3,(H,14,17)/t8-/m0/s1
InChIKey WNVBTNZTXBYJCT-QMMMGPOBSA-N
Mol Weight 287.7 g/mol
Molecular Formula C12H14ClNO5
Exact Mass 287.05605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LaQPwKWbJRf
Name (S)-Methyl 2-chloroacetamido-3-(3,4-dihydroxyphenyl)propanoate
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Formula C12H14ClNO5
InChI InChI=1S/C12H14ClNO5/c1-19-12(18)8(14-11(17)6-13)4-7-2-3-9(15)10(16)5-7/h2-3,5,8,15-16H,4,6H2,1H3,(H,14,17)/t8-/m0/s1
InChIKey WNVBTNZTXBYJCT-QMMMGPOBSA-N
Molecular Weight 287.699 g/mol
SMILES N([C@@](Cc1ccc(c(c1)O)O)(C(=O)OC)[H])C(=O)CCl
SPLASH splash10-00e9-0900000000-c1e33839fca1c1bae80a
Source of Spectrum H1-41-970-7
Synonyms Methyl (2S)-2-[(chloroacetyl)amino]-3-(3,4-dihydroxyphenyl)propanoate Methyl 2-chloroacetamido-3-(3,4-dihydroxyphenyl)propanoate
Wiley ID 757194