Ethyl 3-Methyl-2-butenoate-d6

• CAT Number: R004531
• CAS Number: 53439-15-9
• Molecular Formula: C7H12O2
• Molecular Weight: 134.208
• Purity: ≥95%
• Synonyms: 3-(Methyl-d3)-2-butenoic-4,4,4 Acid Ethyl Ester
• Storage: -20°C
• IUPAC Name: ethyl 4,4,4-trideuterio-3-(trideuteriomethyl)but-2-enoate
• InChI: InChI=1S/C7H12O2/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3/i2D3,3D3
• InChIKey: UTXVCHVLDOLVPC-XERRXZQWSA-N
• SMILES: [2H]C([2H])([2H])C(=CC(=O)OCC)C([2H])([2H])[2H]

Ethyl 3-Methyl-2-butenoate-d6 is a deuterated form of ethyl 3-methyl-2-butenoate, where six hydrogen atoms are replaced by deuterium. This isotopically labeled compound is particularly useful in research involving organic synthesis, reaction mechanisms, and metabolic studies. The deuterium labeling allows for precise tracking and identification in NMR spectroscopy and mass spectrometry, providing detailed insights into reaction pathways and compound behavior. Ethyl 3-Methyl-2-butenoate-d6 is essential for researchers needing high accuracy in studying the kinetics and dynamics of ester compounds, especially in complex biological or chemical systems.