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3-PROPYLCARBONYL-5-(2-NITROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID 3on6Yhz9b6o
InChI InChI=1S/C14H17N3O3S/c1-4-7-12(18)16-14(2,3)21-13(15-16)10-8-5-6-9-11(10)17(19)20/h5-6,8-9H,4,7H2,1-3H3
InChIKey XCLMPIUNEHOSKW-UHFFFAOYSA-N
Mol Weight 307.37 g/mol
Molecular Formula C14H17N3O3S
Exact Mass 307.099063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HXYGWvrslK4
Name 3-PROPYLCARBONYL-5-(2-NITROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H17N3O3S
InChI InChI=1S/C14H17N3O3S/c1-4-7-12(18)16-14(2,3)21-13(15-16)10-8-5-6-9-11(10)17(19)20/h5-6,8-9H,4,7H2,1-3H3
InChIKey XCLMPIUNEHOSKW-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 307.367 g/mol
Solvent CDCl3
Source File Reference UWBT16261