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(S)-N-(3-ISOTHIOCYANATOBENZYL)-2-ACETAMIDO-3-METHOXYPROPIONAMIDE
SpectraBase Compound ID 6VyuOWrUP0j
InChI InChI=1S/C14H17N3O3S/c1-10(18)17-13(8-20-2)14(19)15-7-11-4-3-5-12(6-11)16-9-21/h3-6,13H,7-8H2,1-2H3,(H,15,19)(H,17,18)/t13-/m0/s1
InChIKey DDGQLFDRQVYNRX-ZDUSSCGKSA-N
Mol Weight 307.37 g/mol
Molecular Formula C14H17N3O3S
Exact Mass 307.099063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Is1km3WRGCe
Name (S)-N-(3-ISOTHIOCYANATOBENZYL)-2-ACETAMIDO-3-METHOXYPROPIONAMIDE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H17N3O3S
InChI InChI=1S/C14H17N3O3S/c1-10(18)17-13(8-20-2)14(19)15-7-11-4-3-5-12(6-11)16-9-21/h3-6,13H,7-8H2,1-2H3,(H,15,19)(H,17,18)/t13-/m0/s1
InChIKey DDGQLFDRQVYNRX-ZDUSSCGKSA-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 307.367 g/mol
Sample ID 65138
Solvent CDCl3