1,1’-Carbonyldiimidazole-13C

• CAT Number: R054088
• CAS Number: NA
• Molecular Formula: C₆¹³CH₆N₄O
• Molecular Weight: 163.14
• Purity: ≥95%
• Synonyms: di-1H-Imidazol-1-yl-methanone-13C; 1,1’-(Carbonyl-13C)bis-1H-imidazole
• Storage: -20°C
• IUPAC Name: di(imidazol-1-yl)(113C)methanone
• InChI: InChI=1S/C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H/i7+1
• InChIKey: PFKFTWBEEFSNDU-CDYZYAPPSA-N
• SMILES: C1=CN(C=N1)[13C](=O)N2C=CN=C2

1,1′-Carbonyldiimidazole-13C is a deuterated form of 1,1′-carbonyldiimidazole where one carbon atom is replaced with the isotope 13C. This compound is used as an internal standard in mass spectrometry and NMR spectroscopy, enhancing the precision of quantification and structural analysis. In organic chemistry, it is employed in peptide coupling reactions and as a reagent for various chemical transformations. Its 13C labeling allows for accurate tracking of carbon atoms in reactions and helps in studying reaction mechanisms and intermediates. The stable isotope labeling ensures high accuracy and reliability in analytical and research applications.