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N-Methyl-N-[4,4,4-trifluoro-1-oxo-3-(trifluoromethyl)but-2-en-1-yl]-L-leucine-L-alanine tert-Butyl Ester
SpectraBase Compound ID CwxcwmuhggZ
InChI InChI=1S/C19H28F6N2O4/c1-10(2)8-12(15(29)26-11(3)16(30)31-17(4,5)6)27(7)14(28)9-13(18(20,21)22)19(23,24)25/h9-12H,8H2,1-7H3,(H,26,29)/t11-,12-/m0/s1
InChIKey CRBNACCSTHWDEL-RYUDHWBXSA-N
Mol Weight 462.43 g/mol
Molecular Formula C19H28F6N2O4
Exact Mass 462.195326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tXAUIJ2sS
Name N-Methyl-N-[4,4,4-trifluoro-1-oxo-3-(trifluoromethyl)but-2-en-1-yl]-L-leucine-L-alanine tert-Butyl Ester
Alternate Name(s) tert-Butyl N-methyl-N-(4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoyl)-L-leucyl-L-alaninate
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Formula C19H28F6N2O4
InChI InChI=1S/C19H28F6N2O4/c1-10(2)8-12(15(29)26-11(3)16(30)31-17(4,5)6)27(7)14(28)9-13(18(20,21)22)19(23,24)25/h9-12H,8H2,1-7H3,(H,26,29)/t11-,12-/m0/s1
InChIKey CRBNACCSTHWDEL-RYUDHWBXSA-N
Molecular Weight 462.433 g/mol
SMILES N([C@@](C)(C(OC(C)(C)C)=O)[H])C([C@](CC(C)C)(N(C(=O)C=C(C(F)(F)F)C(F)(F)F)C)[H])=O
SPLASH splash10-05mo-0098700000-d564268bf3b5d07a5193
Source of Spectrum H-93-1596-10b
Wiley ID 1785845