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Cyclohexylamine
SpectraBase Compound ID 5dYuSWdtknb
InChI InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
InChIKey PAFZNILMFXTMIY-UHFFFAOYSA-N
Mol Weight 99.18 g/mol
Molecular Formula C6H13N
Exact Mass 99.104799 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 68pMKzLJtXZ
Name Cyclohexylamine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 108-91-8; 143247-75-0; 157973-60-9
ChEBI ID 15773
Comments 100 mM Cyclohexylamine - Aldrich 240648 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
IUPAC Name cyclohexylamine; cyclohexanamine
InChI InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
InChIKey PAFZNILMFXTMIY-UHFFFAOYSA-N
KEGG Compound ID C00571
KEGG Pathways PATH: ko00930 Caprolactam degradation
PubChem Compound ID 7965
SMILES C1CCC(CC1)N
Source File Reference bmse000451