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(S)-2-allyloxycarbonylamino-3-(4-hydroxy-phenyl)-propionic acid methyl ester
SpectraBase Compound ID 68i95Gqr7bc
InChI InChI=1S/C14H17NO5/c1-3-8-20-14(18)15-12(13(17)19-2)9-10-4-6-11(16)7-5-10/h3-7,12,16H,1,8-9H2,2H3,(H,15,18)/t12-/m0/s1
InChIKey WWLOJJSJBXEZLV-LBPRGKRZSA-N
Mol Weight 279.29 g/mol
Molecular Formula C14H17NO5
Exact Mass 279.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jl8CX5wEaS9
Name (S)-2-allyloxycarbonylamino-3-(4-hydroxy-phenyl)-propionic acid methyl ester
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Formula C14H17NO5
InChI InChI=1S/C14H17NO5/c1-3-8-20-14(18)15-12(13(17)19-2)9-10-4-6-11(16)7-5-10/h3-7,12,16H,1,8-9H2,2H3,(H,15,18)/t12-/m0/s1
InChIKey WWLOJJSJBXEZLV-LBPRGKRZSA-N
Literature Reference DOI 10.1021/ol202270g
Molecular Weight 279.292 g/mol
SMILES N([C@@](Cc1ccc(cc1)O)(C(OC)=O)[H])C(OCC=C)=O
SPLASH splash10-0a6r-0900000000-9554e1a6ca00f54ed934
Source of Spectrum A1-13-5544/SMS16-37
Synonyms (S)-methyl 2-(((allyloxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoate (2S)-3-(4-hydroxyphenyl)-2-[[oxo(prop-2-enoxy)methyl]amino]propanoic acid methyl ester Methyl (2S)-2-(allyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoate Methyl (2S)-3-(4-hydroxyphenyl)-2-(prop-2-enoxycarbonylamino)propanoate
Wiley ID 1753824