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dl-Alanine
SpectraBase Compound ID 1b0tALOYh8L
InChI InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
InChIKey QNAYBMKLOCPYGJ-UHFFFAOYSA-N
Mol Weight 89.09 g/mol
Molecular Formula C3H7NO2
Exact Mass 89.047678 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8SOQhYEbQLY
Name Alanine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 302-72-7
ChEBI ID 16449
Comments 100 mM Alanine - Aldrich 13,522-4; 100 % D2O 50 mM sodium phosphate 500 uM sodium azide 500 uM DSS - pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley.
Formula C3 H7 N O2
IUPAC Name 2-aminopropanoic acid
InChI InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
InChIKey QNAYBMKLOCPYGJ-UHFFFAOYSA-N
KEGG Compound ID C01401
KEGG Pathways PATH: map00460 Cyanoamino acid metabolism
PubChem Compound ID 602
SMILES CC(C(=O)O)N
Source File Reference bmse000282