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N-trifluoroacetyl-L-prolyl-.beta.-aminobutyric acid butyl ester
SpectraBase Compound ID BIHwUNFNtll
InChI InChI=1S/C15H23F3N2O4/c1-3-5-9-24-13(22)10(4-2)19-12(21)11-7-6-8-20(11)14(23)15(16,17)18/h10-11H,3-9H2,1-2H3,(H,19,21)
InChIKey DJNQXGWPLOEKHZ-UHFFFAOYSA-N
Mol Weight 352.35 g/mol
Molecular Formula C15H23F3N2O4
Exact Mass 352.160992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CR7SrlqAQLy
Name N-Trifluoroacetyl-L-prolyl-.beta.-aminobutyric acid butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 352.160991714 u
Formula C15H23F3N2O4
InChI InChI=1S/C15H23F3N2O4/c1-3-5-9-24-13(22)10(4-2)19-12(21)11-7-6-8-20(11)14(23)15(16,17)18/h10-11H,3-9H2,1-2H3,(H,19,21)
InChIKey DJNQXGWPLOEKHZ-UHFFFAOYSA-N
Molecular Weight 352.354 g/mol
SMILES C(=O)(N1C(CCC1)C(NC(C(OCCCC)=O)CC)=O)C(F)(F)F