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2-Methyl-3-(R)-(benzyloxycarbonylamido)-4-[(2-methoxy-2-trifluoromethyl-2-phenyl)acetoxy]butane
SpectraBase Compound ID BKO8DIg1zbR
InChI InChI=1S/C23H26F3NO5/c1-16(2)19(27-21(29)32-14-17-10-6-4-7-11-17)15-31-20(28)22(30-3,23(24,25)26)18-12-8-5-9-13-18/h4-13,16,19H,14-15H2,1-3H3,(H,27,29)/t19-,22?/m0/s1
InChIKey PYVNIMMDMXNNNI-YDNXMHBPSA-N
Mol Weight 453.46 g/mol
Molecular Formula C23H26F3NO5
Exact Mass 453.176307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RHf3ALa17D
Name 2-Methyl-3-(R)-(benzyloxycarbonylamido)-4-[(2-methoxy-2-trifluoromethyl-2-phenyl)acetoxy]butane
Alternate Name(s) (2R)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate 2-Methyl-3-(benzyloxycarbonylamido)-4-[(R)-(2-methoxy-2-trifluoromethyl-2-phenyl)acetoxy]butane
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Formula C23H26F3NO5
InChI InChI=1S/C23H26F3NO5/c1-16(2)19(27-21(29)32-14-17-10-6-4-7-11-17)15-31-20(28)22(30-3,23(24,25)26)18-12-8-5-9-13-18/h4-13,16,19H,14-15H2,1-3H3,(H,27,29)/t19-,22?/m0/s1
InChIKey PYVNIMMDMXNNNI-YDNXMHBPSA-N
Molecular Weight 453.458 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@](COC(C(C(F)(F)F)(c1ccccc1)OC)=O)(C(C)C)[H]
SPLASH splash10-0006-9200000000-8bd461c419692fc3b839
Source of Spectrum KC-0-3302-51
Wiley ID 829419