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3-METHYLCARBONYL-5-(2-AMINO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID JNUwSF1MjUN
InChI InChI=1S/C12H14ClN3OS/c1-7(17)16-12(2,3)18-11(15-16)9-6-8(13)4-5-10(9)14/h4-6H,14H2,1-3H3
InChIKey AXJXOVDIHVWZQX-UHFFFAOYSA-N
Mol Weight 283.78 g/mol
Molecular Formula C12H14ClN3OS
Exact Mass 283.054611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bq0tzUXmm45
Name 3-METHYLCARBONYL-5-(2-AMINO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 39
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14ClN3OS
InChI InChI=1S/C12H14ClN3OS/c1-7(17)16-12(2,3)18-11(15-16)9-6-8(13)4-5-10(9)14/h4-6H,14H2,1-3H3
InChIKey AXJXOVDIHVWZQX-UHFFFAOYSA-N
Literature Reference Author M.D.CARRION,L.C.LOPEZ-CARA,M.CHAYAH,D.CHOQUESILLO-LAZARTE,M. A.GALLO,A.ESPINOSA,A
Literature Reference Citation MAGN.RES.CHEM.,50,515(2012)
Literature Reference DOI 10.1002/mrc.3830
Molecular Weight 283.776 g/mol
Solvent CDCl3
Source File Reference UWBT16277