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epsilon-Amino-n-caproic acid
SpectraBase Compound ID 2tdWVMOSHXN
InChI InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
InChIKey SLXKOJJOQWFEFD-UHFFFAOYSA-N
Mol Weight 131.17 g/mol
Molecular Formula C6H13NO2
Exact Mass 131.094629 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8eFtoB0MQGU
Name 6-Aminohexanoic acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 1319-82-0; 93208-38-9; 87867-96-7
ChEBI ID 16586
Comments 100 mM 6-Aminohexanoic 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 C6 H13 N O2
IUPAC Name 6-aminohexanoic acid
InChI InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
InChIKey SLXKOJJOQWFEFD-UHFFFAOYSA-N
KEGG Compound ID C02378
KEGG Pathways PATH: ko00930 Caprolactam degradation
PubChem Compound ID 564
SMILES C(CCC(=O)O)CCN
Source File Reference bmse000394