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3-BUTYLCARBONYL-5-(2-NITROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID Io0YdWgmRRi
InChI InChI=1S/C15H19N3O3S/c1-4-5-10-13(19)17-15(2,3)22-14(16-17)11-8-6-7-9-12(11)18(20)21/h6-9H,4-5,10H2,1-3H3
InChIKey DSJDAAQMHLYXSG-UHFFFAOYSA-N
Mol Weight 321.4 g/mol
Molecular Formula C15H19N3O3S
Exact Mass 321.114713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7IK95UPvwFl
Name 3-BUTYLCARBONYL-5-(2-NITROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H19N3O3S
InChI InChI=1S/C15H19N3O3S/c1-4-5-10-13(19)17-15(2,3)22-14(16-17)11-8-6-7-9-12(11)18(20)21/h6-9H,4-5,10H2,1-3H3
InChIKey DSJDAAQMHLYXSG-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 321.394 g/mol
Solvent CDCl3
Source File Reference UWBT16262