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(S)-N-(2,2,2-Trichloro-ethoxycarbonyl)-(15N)alanine benzyl ester
SpectraBase Compound ID 7FVErArqN3Z
InChI InChI=1S/C13H14Cl3NO4/c1-9(17-12(19)21-8-13(14,15)16)11(18)20-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,17,19)
InChIKey VCWHEMIYULZPAJ-UHFFFAOYSA-N
Mol Weight 354.62 g/mol
Molecular Formula C13H14Cl3NO4
Exact Mass 352.998841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 57h550EsSa0
Name (S)-N-(2,2,2-Trichloro-ethoxycarbonyl)-(15N)alanine benzyl ester
Comments JEOL FX-90Q OR FX-100 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H14Cl3NO4
InChI InChI=1S/C13H14Cl3NO4/c1-9(17-12(19)21-8-13(14,15)16)11(18)20-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,17,19)
InChIKey VCWHEMIYULZPAJ-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference F. Degerbeck, B. Fransson, U. Ragnarsson, J. Chem. Soc. Perkin I 245 (1992).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3