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2-Trifluoromethyl-B-aspartyl-(.alpha.-methyl ester)-S-phenyl-alanine methyl ester
SpectraBase Compound ID 2F3PRgRGA1i
InChI InChI=1S/C16H19F3N2O5/c1-25-13(23)11(8-10-6-4-3-5-7-10)21-12(22)9-15(20,14(24)26-2)16(17,18)19/h3-7,11H,8-9,20H2,1-2H3,(H,21,22)
InChIKey HIPRXGUBLRKNSN-UHFFFAOYSA-N
Mol Weight 376.33 g/mol
Molecular Formula C16H19F3N2O5
Exact Mass 376.124606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3WhCICMNISi
Name 2-Trifluoromethyl-B-aspartyl-(.alpha.-methyl ester)-S-phenyl-alanine methyl ester
Comments DIASTEREOMER 1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H19F3N2O5
InChI InChI=1S/C16H19F3N2O5/c1-25-13(23)11(8-10-6-4-3-5-7-10)21-12(22)9-15(20,14(24)26-2)16(17,18)19/h3-7,11H,8-9,20H2,1-2H3,(H,21,22)
InChIKey HIPRXGUBLRKNSN-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