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N-Benzyloxycarbonyl-S-2-trifluoromethyl-B-aspartyl-(.alpha.-methyl ester)-S-proline benzyl ester
SpectraBase Compound ID 9iIQVDAcsgN
InChI InChI=1S/C26H27F3N2O7/c1-36-23(34)25(26(27,28)29,30-24(35)38-17-19-11-6-3-7-12-19)15-21(32)31-14-8-13-20(31)22(33)37-16-18-9-4-2-5-10-18/h2-7,9-12,20H,8,13-17H2,1H3,(H,30,35)
InChIKey IGNFHUZBFVANOS-UHFFFAOYSA-N
Mol Weight 536.5 g/mol
Molecular Formula C26H27F3N2O7
Exact Mass 536.177036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTrQz8XEJoH
Name N-Benzyloxycarbonyl-S-2-trifluoromethyl-B-aspartyl-(.alpha.-methyl ester)-S-proline benzyl ester
Comments CONFORMER 2, AROMATIC SIGNALS AT 127.51 TO 136.35 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H27F3N2O7
InChI InChI=1S/C26H27F3N2O7/c1-36-23(34)25(26(27,28)29,30-24(35)38-17-19-11-6-3-7-12-19)15-21(32)31-14-8-13-20(31)22(33)37-16-18-9-4-2-5-10-18/h2-7,9-12,20H,8,13-17H2,1H3,(H,30,35)
InChIKey IGNFHUZBFVANOS-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