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(R,S)-N-BENZYL-2-ACETAMIDO-6-ISOTHIOCYANATOHEXANAMIDE

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(R,S)-N-BENZYL-2-ACETAMIDO-6-ISOTHIOCYANATOHEXANAMIDE
SpectraBase Compound ID IjktPjOfLQ1
InChI InChI=1S/C16H21N3O2S/c1-13(20)19-15(9-5-6-10-17-12-22)16(21)18-11-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-11H2,1H3,(H,18,21)(H,19,20)
InChIKey PTOXTKXVERLSDC-UHFFFAOYSA-N
Mol Weight 319.42 g/mol
Molecular Formula C16H21N3O2S
Exact Mass 319.135448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9abzH57agN8
Name (R,S)-N-BENZYL-2-ACETAMIDO-6-ISOTHIOCYANATOHEXANAMIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21N3O2S
InChI InChI=1S/C16H21N3O2S/c1-13(20)19-15(9-5-6-10-17-12-22)16(21)18-11-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-11H2,1H3,(H,18,21)(H,19,20)
InChIKey PTOXTKXVERLSDC-UHFFFAOYSA-N
Literature Reference Author A.L.TIRAN,J.P.STABLES,H.KOHN
Literature Reference Citation J.MED.CHEM.,45,4762(2002)
Literature Reference DOI 10.1021/jm020225f
Molecular Weight 319.422 g/mol
Sample ID 65118
Solvent CDCl3