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Guanine
SpectraBase Compound ID GXcrS5wFjzb
InChI InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
InChIKey UYTPUPDQBNUYGX-UHFFFAOYSA-N
Mol Weight 151.13 g/mol
Molecular Formula C5H5N5O
Exact Mass 151.04941 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5L7wFP9Iixp
Name Guanine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 11006-44-3 15986-36-4 37432-34-1 492-33-1 54435-87-9 69257-39-2 73-40-5 8039-79-0
ChEBI ID 16235
Comments saturated N/A guanine - vendor: Sigma g11950; Solvent: D2O; Temperature=298 K, pH=12; 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 C5H5N5O
IUPAC Name 2-amino-3,7-dihydropurin-6-one
InChI InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
InChIKey UYTPUPDQBNUYGX-UHFFFAOYSA-N
KEGG Compound ID C00242
KEGG Pathways PATH: map00230 Purine metabolism
PubChem Compound ID 764
SMILES C1=NC2=C(N1)C(=O)N=C(N2)N
Source File Reference bmse000090