2-Benzyloxy-3-nitro-benzoic Acid-13C6 Benzyl Ester

• CAT Number: R050058
• CAS Number: 1330265-54-7
• Molecular Formula: C21H17NO5
• Molecular Weight: 369.323
• Purity: ≥95%
• Synonyms: Benzyl 2-(Benzyloxy)-3-nitrobenzoate-13C6; 3-Nitro-2-(phenylmethoxy)benzoic Acid-13C6 Phenylmethyl Ester
• Storage: Desiccate at RT
• IUPAC Name: benzyl 3-nitro-2-phenylmethoxybenzoate
• InChI: InChI=1S/C21H17NO5/c23-21(27-15-17-10-5-2-6-11-17)18-12-7-13-19(22(24)25)20(18)26-14-16-8-3-1-4-9-16/h1-13H,14-15H2/i7+1,12+1,13+1,18+1,19+1,20+1
• InChIKey: PASQATSQCXYGQJ-VFPCLECSSA-N
• SMILES: C1=CC=C(C=C1)CO[13C]2=[13C]([13CH]=[13CH][13CH]=[13C]2[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

2-Benzyloxy-3-nitro-benzoic Acid-13C6 Benzyl Ester is an isotopically labeled compound with six carbon-13 atoms incorporated into its structure. This compound is particularly valuable in the study of organic synthesis, medicinal chemistry, and metabolic pathways. The carbon-13 labeling allows for precise and detailed analysis in NMR spectroscopy and mass spectrometry, making it a critical tool for tracing and quantifying reactions involving benzoic acid derivatives. 2-Benzyloxy-3-nitro-benzoic Acid-13C6 Benzyl Ester is ideal for research focused on drug development, chemical reaction mechanisms, and structural elucidation, providing accurate and consistent data across various experimental setups.