For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-Methylcytosine HCl
SpectraBase Compound ID 6PDu115pVTn
InChI InChI=1S/C5H7N3O.ClH/c1-3-2-7-5(9)8-4(3)6;/h2H,1H3,(H3,6,7,8,9);1H
InChIKey ANWMULVRPAUPJT-UHFFFAOYSA-N
Mol Weight 161.59 g/mol
Molecular Formula C5H8ClN3O
Exact Mass 161.03559 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FTIKvDIHNk6
Name 5-Methylcytosine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 554-01-8; 58366-64-6
Comments 100 mM 5-METHYLCYTOSINE - 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 C5 H8 Cl N3 O
IUPAC Name 4-amino-5-methyl-3H-pyrimidin-2-one hydrochloride
InChI InChI=1S/C5H7N3O.ClH/c1-3-2-7-5(9)8-4(3)6;/h2H,1H3,(H3,6,7,8,9);1H
InChIKey ANWMULVRPAUPJT-UHFFFAOYSA-N
PubChem Compound ID 94029
SMILES CC1=C(NC(=O)N=C1)N.Cl
Source File Reference bmse000421