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N-(2,4-Dinitro-phenyl)-5-amino-pentanoic acid
SpectraBase Compound ID IeEgJjpajlI
InChI InChI=1S/C11H13N3O6/c15-11(16)3-1-2-6-12-9-5-4-8(13(17)18)7-10(9)14(19)20/h4-5,7,12H,1-3,6H2,(H,15,16)
InChIKey CBDRAWLLQJRWIJ-UHFFFAOYSA-N
Mol Weight 283.24 g/mol
Molecular Formula C11H13N3O6
Exact Mass 283.080435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IELY9xTw9lL
Name N-(2,4-Dinitro-phenyl)-5-amino-pentanoic acid
CAS Registry Number 28166-04-3
Comments C5 IS C-13 AND N12 IS N-15 ENRICHED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H13N3O6
InChI InChI=1S/C11H13N3O6/c15-11(16)3-1-2-6-12-9-5-4-8(13(17)18)7-10(9)14(19)20/h4-5,7,12H,1-3,6H2,(H,15,16)
InChIKey CBDRAWLLQJRWIJ-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference E. Leete, J.A. McDonell, J. Am. Chem. Soc. 658 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6