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3-CYCLOPENTYLCARBONYL-5-(2-NITRO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID 8GWxuiARAAe
InChI InChI=1S/C16H18ClN3O3S/c1-16(2)19(15(21)10-5-3-4-6-10)18-14(24-16)12-9-11(17)7-8-13(12)20(22)23/h7-10H,3-6H2,1-2H3
InChIKey GGCSGBCEPBLTKH-UHFFFAOYSA-N
Mol Weight 367.85 g/mol
Molecular Formula C16H18ClN3O3S
Exact Mass 367.07574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LvxQ1dRe7zY
Name 3-CYCLOPENTYLCARBONYL-5-(2-NITRO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18ClN3O3S
InChI InChI=1S/C16H18ClN3O3S/c1-16(2)19(15(21)10-5-3-4-6-10)18-14(24-16)12-9-11(17)7-8-13(12)20(22)23/h7-10H,3-6H2,1-2H3
InChIKey GGCSGBCEPBLTKH-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 367.850 g/mol
Solvent CDCl3
Source File Reference UWBT16256