2-Benzyloxy-5-nitro-benzoic Acid-13C6 Benzyl Ester

• CAT Number: R050056
• CAS Number: 1329840-65-4
• Molecular Formula: C21H17NO5
• Molecular Weight: 369.323
• Purity: ≥95%
• Synonyms: Benzyl 2-(Benzyloxy)-5-nitrobenzoate-13C6; 5-Nitro-2-(phenylmethoxy)benzoic Acid-13C6 Phenylmethyl Ester
• Storage: Desiccate at RT
• IUPAC Name: benzyl 5-nitro-2-phenylmethoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
• InChI: InChI=1S/C21H17NO5/c23-21(27-15-17-9-5-2-6-10-17)19-13-18(22(24)25)11-12-20(19)26-14-16-7-3-1-4-8-16/h1-13H,14-15H2/i11+1,12+1,13+1,18+1,19+1,20+1
• InChIKey: FYRIDDBMDNIGBS-FIZWXNLOSA-N
• SMILES: C1=CC=C(C=C1)CO[13C]2=[13C]([13CH]=[13C]([13CH]=[13CH]2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

2-Benzyloxy-5-nitro-benzoic Acid-13C6 Benzyl Ester is a labeled compound featuring six carbon-13 isotopes, used primarily in advanced research. This compound acts as a molecular probe in NMR spectroscopy, facilitating the study of molecular structures and dynamics due to the isotopic labeling. It is essential in pharmaceutical research for drug development and metabolic studies, providing insight into the behavior of similar structures in biological systems. Additionally, it finds applications in organic chemistry for the synthesis of complex molecules and in material science for developing labeled materials for advanced analytical techniques.