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N-Benzyloxycarbonyl-2-trifluoromethyl.beta.-aspartyl-(A-methyl ester)-S-alanine tert-butyl ester
SpectraBase Compound ID 6BVsk7KNR42
InChI InChI=1S/C21H27F3N2O7/c1-13(16(28)33-19(2,3)4)25-15(27)11-20(17(29)31-5,21(22,23)24)26-18(30)32-12-14-9-7-6-8-10-14/h6-10,13H,11-12H2,1-5H3,(H,25,27)(H,26,30)
InChIKey GXNXSWUBIGLRDU-UHFFFAOYSA-N
Mol Weight 476.45 g/mol
Molecular Formula C21H27F3N2O7
Exact Mass 476.177036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID tnPXvOP46J
Name N-Benzyloxycarbonyl-2-trifluoromethyl.beta.-aspartyl-(A-methyl ester)-S-alanine tert-butyl ester
Comments DIASTEREOMER 1
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Formula C21H27F3N2O7
InChI InChI=1S/C21H27F3N2O7/c1-13(16(28)33-19(2,3)4)25-15(27)11-20(17(29)31-5,21(22,23)24)26-18(30)32-12-14-9-7-6-8-10-14/h6-10,13H,11-12H2,1-5H3,(H,25,27)(H,26,30)
InChIKey GXNXSWUBIGLRDU-UHFFFAOYSA-N
Instrument Name Bruker AM-360
Literature Reference N. Sewald, J. Riede, P. Bissinger, J. Chem. Soc. Perkin I 267 (1992).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3