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DL-2-Aminobutyric acid
SpectraBase Compound ID 7IOMw6Dqzhz
InChI InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChIKey QWCKQJZIFLGMSD-UHFFFAOYSA-N
Mol Weight 103.12 g/mol
Molecular Formula C4H9NO2
Exact Mass 103.063329 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GdGVjQKSLHn
Name DL-2-Aminobutyric acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 2623-91-8; 2835-81-6
ChEBI ID 35621
Comments 100 mM DL-2-Aminobutyric acid - Sigma-Aldrich; Solvent D2O; Buffer sodium phosphate; Cytocide sodium azide; Reference 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
Formula C4 H9 N O2
IUPAC Name 2-aminobutanoic acid; 2-aminobutyric acid
InChI InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChIKey QWCKQJZIFLGMSD-UHFFFAOYSA-N
PubChem Compound ID 6657
SMILES CCC(C(=O)O)N
Source File Reference bmse000390