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3-METHYLCARBONYL-5-(2-AMINOPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID 8wH7ue2x9GX
InChI InChI=1S/C12H15N3OS/c1-8(16)15-12(2,3)17-11(14-15)9-6-4-5-7-10(9)13/h4-7H,13H2,1-3H3
InChIKey BWQACEWRCNYGMK-UHFFFAOYSA-N
Mol Weight 249.33 g/mol
Molecular Formula C12H15N3OS
Exact Mass 249.093583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FPw6XszIgCk
Name 3-METHYLCARBONYL-5-(2-AMINOPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 48
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15N3OS
InChI InChI=1S/C12H15N3OS/c1-8(16)15-12(2,3)17-11(14-15)9-6-4-5-7-10(9)13/h4-7H,13H2,1-3H3
InChIKey BWQACEWRCNYGMK-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 249.331 g/mol
Solvent CDCl3
Source File Reference UWBT16286