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2-ACETAMIDE-3-METHYL-3-NITROSOSULFANYL-N-(META-CHLOROPHENYL)-BUTANAMIDE
SpectraBase Compound ID FACILThPKis
InChI InChI=1S/C13H16ClN3O3S/c1-8(18)15-11(13(2,3)21-17-20)12(19)16-10-6-4-5-9(14)7-10/h4-7,11H,1-3H3,(H,15,18)(H,16,19)
InChIKey YIQOHJMLWNSQGW-UHFFFAOYSA-N
Mol Weight 329.8 g/mol
Molecular Formula C13H16ClN3O3S
Exact Mass 329.06009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADTgrlMTeiR
Name 2-ACETAMIDE-3-METHYL-3-NITROSOSULFANYL-N-(META-CHLOROPHENYL)-BUTANAMIDE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16ClN3O3S
InChI InChI=1S/C13H16ClN3O3S/c1-8(18)15-11(13(2,3)21-17-20)12(19)16-10-6-4-5-9(14)7-10/h4-7,11H,1-3H3,(H,15,18)(H,16,19)
InChIKey YIQOHJMLWNSQGW-UHFFFAOYSA-N
Literature Reference Author R.G.SANTANA,D.R.PAIVA,R.D.S.GOMES,A.K.C.A.REIS
Literature Reference Citation MAGN.RES.CHEM.,51,316(2013)
Literature Reference DOI 10.1002/mrc.3944
Molecular Weight 329.801 g/mol
Solvent DMSO-D6
Source File Reference UWIR12959