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5-Amino-2-(tert-butoxycarbonylamino)-2-(trifluoromethyl)pent-3-ynoic acid methyl ester
SpectraBase Compound ID HxvixZw6w8Z
InChI InChI=1S/C12H17F3N2O4/c1-10(2,3)21-9(19)17-11(6-5-7-16,8(18)20-4)12(13,14)15/h7,16H2,1-4H3,(H,17,19)
InChIKey WJCXZVRAGVMJJZ-UHFFFAOYSA-N
Mol Weight 310.27 g/mol
Molecular Formula C12H17F3N2O4
Exact Mass 310.114042 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8zEhFZkCYJq
Name 5-amino-2-(tert-butoxycarbonylamino)-2-(trifluoromethyl)pent-3-ynoic acid methyl ester
Compound Number 8B
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Formula C12H17F3N2O4
InChI InChI=1S/C12H17F3N2O4/c1-10(2,3)21-9(19)17-11(6-5-7-16,8(18)20-4)12(13,14)15/h7,16H2,1-4H3,(H,17,19)
InChIKey WJCXZVRAGVMJJZ-UHFFFAOYSA-N
Literature Reference Author M.MORONI,B.KOKSCH,S.N.OSIPOV,M.CRUCIANELLI,M.FRIGERIO,P.BRAV O,K.BURGER
Literature Reference Citation J.ORG.CHEM.,66,130(2001)
Literature Reference DOI 10.1021/jo0009043
Solvent CDCl3
Source File Reference UWMS28101