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(R,S)-N-BENZYL-2-ACETAMIDOBUTANAMIDE

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(R,S)-N-BENZYL-2-ACETAMIDOBUTANAMIDE
SpectraBase Compound ID CyilRVuB9TH
InChI InChI=1S/C13H18N2O2/c1-3-12(15-10(2)16)13(17)14-9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,14,17)(H,15,16)
InChIKey PEZVQCCHWXCHOV-UHFFFAOYSA-N
Mol Weight 234.3 g/mol
Molecular Formula C13H18N2O2
Exact Mass 234.136828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dgx6k7hpSIk
Name (R,S)-N-BENZYL-2-ACETAMIDOBUTANAMIDE
Compound Number 49
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18N2O2
InChI InChI=1S/C13H18N2O2/c1-3-12(15-10(2)16)13(17)14-9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,14,17)(H,15,16)
InChIKey PEZVQCCHWXCHOV-UHFFFAOYSA-N
Literature Reference Author M.SHEN,A.L.TIRAN,Y.XIAO,A.GOLBRAIKH,H.KOHN,A.TROPSHA
Literature Reference Citation J.MED.CHEM.,45,2811(2002)
Literature Reference DOI 10.1021/jm010488u
Molecular Weight 234.298 g/mol
Sample ID 52832
Solvent CDCl3