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3-PROPYLCARBONYL-5-(2-NITRO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID ITWyvZoCT6c
InChI InChI=1S/C14H16ClN3O3S/c1-4-5-12(19)17-14(2,3)22-13(16-17)10-8-9(15)6-7-11(10)18(20)21/h6-8H,4-5H2,1-3H3
InChIKey ZLZJTRPLTOFCPT-UHFFFAOYSA-N
Mol Weight 341.81 g/mol
Molecular Formula C14H16ClN3O3S
Exact Mass 341.06009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ExMcTxqReu9
Name 3-PROPYLCARBONYL-5-(2-NITRO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16ClN3O3S
InChI InChI=1S/C14H16ClN3O3S/c1-4-5-12(19)17-14(2,3)22-13(16-17)10-8-9(15)6-7-11(10)18(20)21/h6-8H,4-5H2,1-3H3
InChIKey ZLZJTRPLTOFCPT-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 341.812 g/mol
Solvent CDCl3
Source File Reference UWBT16252