Bio-Rad Laboratories, Inc. SpectraBase; SpectraBase Compound ID=fJkf7113I SpectraBase Spectrum ID=ByIbwX9ml7t
http://spectrabase.com/spectrum/ByIbwX9ml7t (accessed Aug 26, 2019).

DL-2-Aminoadipic acid
SpectraBase Compound ID fJkf7113I
InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
InChIKey OYIFNHCXNCRBQI-UHFFFAOYSA-N
Mol Weight 161.16 g/mol
Molecular Formula C6H11NO4
Exact Mass 161.068808 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

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13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ByIbwX9ml7t
SpectraBase Batch ID IUbgKzPMbD8
Name DL-2-Aminoadipic acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 542-32-5
ChEBI ID 37024
Comments 100 mM DL-2-Aminoadipic acid - Sigma-Aldrich; Solvent D2O; Buffer sodium phosphate; Cytocide sodium azide; Reference DSS; pH 7.4, temperature 298 K
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Data Source Madison Metabolomics Consortium
Formula C6 H11 N O4
IUPAC Name 2-aminohexanedioic acid; 2-aminoadipic acid
InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
InChIKey OYIFNHCXNCRBQI-UHFFFAOYSA-N
PubChem Compound ID 469
SMILES C(CC(C(=O)O)N)CC(=O)O
Source File Reference bmse000429