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(2R,A-2-alpha-R)-4-Benzyl-[1-[3,5-bis-(trifluoromethyl)-phenyl]-ethoxy]-1,4-oxazin-3-one
SpectraBase Compound ID 7R4IZSRC7hV
InChI InChI=1S/C21H19F6NO3/c1-13(15-9-16(20(22,23)24)11-17(10-15)21(25,26)27)31-19-18(29)28(7-8-30-19)12-14-5-3-2-4-6-14/h2-6,9-11,13,19H,7-8,12H2,1H3/t13-,19+/m1/s1
InChIKey KVPJNHLVRGUYGQ-YJYMSZOUSA-N
Mol Weight 447.38 g/mol
Molecular Formula C21H19F6NO3
Exact Mass 447.126912 g/mol
Enantiomer InChIKey KVPJNHLVRGUYGQ-ORAYPTAESA-N
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Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Efficient Synthesis of NK1 Receptor Antagonist Aprepitant Using a Crystallization-Induced Diastereoselective Transformation Journal of the American Chemical Society 2003

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