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DL-Alanine, N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]-, methyl ester, (E)-
SpectraBase Compound ID HnM5I8WZLN8
InChI InChI=1S/C12H16N2O4/c1-7-11(16)10(9(6-15)4-13-7)5-14-8(2)12(17)18-3/h4-5,8,15-16H,6H2,1-3H3/b14-5+
InChIKey MUXCFJDZNNVQRU-LHHJGKSTSA-N
Mol Weight 252.27 g/mol
Molecular Formula C12H16N2O4
Exact Mass 252.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYVg2a7f0zf
Name DL-Alanine, N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]-, methyl ester, (E)-
CAS Registry Number 122923-06-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O4
InChI InChI=1S/C12H16N2O4/c1-7-11(16)10(9(6-15)4-13-7)5-14-8(2)12(17)18-3/h4-5,8,15-16H,6H2,1-3H3/b14-5+
InChIKey MUXCFJDZNNVQRU-LHHJGKSTSA-N
Molecular Weight 252.270 g/mol
SMILES OCc1c(c(c(nc1)C)O)\C=N\C(C(=O)OC)C
SPLASH splash10-0uxs-0910000000-cd546363e9a14683a8f8
Source of Spectrum F-44-7289-0
Synonyms Methyl 2-({(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylidene}amino)propanoate N-pyridoxylidenealanine methyl ester
Wiley ID 1255222