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D-Alanine, N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-
SpectraBase Compound ID EbCaKPqm4oU
InChI InChI=1S/C11H16N2O4/c1-6-10(15)9(8(5-14)3-12-6)4-13-7(2)11(16)17/h3,7,13-15H,4-5H2,1-2H3,(H,16,17)/t7-/m1/s1
InChIKey AUNRECYQHCOLTP-SSDOTTSWSA-N
Mol Weight 240.26 g/mol
Molecular Formula C11H16N2O4
Exact Mass 240.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6L7592a6bx7
Name D-Alanine, N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-
CAS Registry Number 97611-90-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16N2O4
InChI InChI=1S/C11H16N2O4/c1-6-10(15)9(8(5-14)3-12-6)4-13-7(2)11(16)17/h3,7,13-15H,4-5H2,1-2H3,(H,16,17)/t7-/m1/s1
InChIKey AUNRECYQHCOLTP-SSDOTTSWSA-N
Molecular Weight 240.259 g/mol
SMILES OCc1cnc(c(c1CN[C@@](C(=O)O)(C)[H])O)C
SPLASH splash10-0udi-2900000000-01b75287c6a30a99a1c2
Source of Spectrum B-38-305-1
Synonyms (2R)-2-({[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl}amino)propanoic acid N-[3-hydroxy-5-hydroxymethyl-2-methylpyridin-4-ylmethyl]-D-aminopropanoic acid
Wiley ID 1242556