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(S)-N-(4'-IODO)-BENZYL_2-ACETAMIDO-3-METHOXYPROPIONAMIDE
SpectraBase Compound ID 5XFn8X2GJnY
InChI InChI=1S/C13H17IN2O3/c1-9(17)16-12(8-19-2)13(18)15-7-10-3-5-11(14)6-4-10/h3-6,12H,7-8H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKey ULXQVKABLWOAGQ-LBPRGKRZSA-N
Mol Weight 376.19 g/mol
Molecular Formula C13H17IN2O3
Exact Mass 376.028387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JACQsXbNQQe
Name (S)-N-(4'-IODO)-BENZYL_2-ACETAMIDO-3-METHOXYPROPIONAMIDE
Compound Number (S)-38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17IN2O3
InChI InChI=1S/C13H17IN2O3/c1-9(17)16-12(8-19-2)13(18)15-7-10-3-5-11(14)6-4-10/h3-6,12H,7-8H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKey ULXQVKABLWOAGQ-LBPRGKRZSA-N
Literature Reference Author C.SALOME,E.SALOME-GROSJEAN,K.D.PARK,P.MORIEUX,R.SWENDIMAN,E. DEMARCO,J.P.STABLES,
Literature Reference Citation J.MED.CHEM.,53,1288(2010)
Literature Reference DOI 10.1021/jm901563p
Molecular Weight 376.194 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46694