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Cadaverine
SpectraBase Compound ID IXtJBxqRswG
InChI InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
InChIKey VHRGRCVQAFMJIZ-UHFFFAOYSA-N
Mol Weight 102.18 g/mol
Molecular Formula C5H14N2
Exact Mass 102.115698 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5xY5NnJKhU
Name Cadaverine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 462-94-2
ChEBI ID 18127
Comments 100 mM 1,5 diaminopentane - vendor: Sigma d22606; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C5H14N2
IUPAC Name pentane-1,5-diamine
InChI InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
InChIKey VHRGRCVQAFMJIZ-UHFFFAOYSA-N
KEGG Compound ID C01672
KEGG Pathways PATH: map00310 Lysine degradation PATH: map00960 Alkaloid biosynthesis II
PubChem Compound ID 273
SMILES C(CCN)CCN
Source File Reference bmse000072