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3-BUTYLCARBONYL-5-(2-NITRO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID GQo0EXQz1Fc
InChI InChI=1S/C15H18ClN3O3S/c1-4-5-6-13(20)18-15(2,3)23-14(17-18)11-9-10(16)7-8-12(11)19(21)22/h7-9H,4-6H2,1-3H3
InChIKey BFMLLJNMEOFSEK-UHFFFAOYSA-N
Mol Weight 355.84 g/mol
Molecular Formula C15H18ClN3O3S
Exact Mass 355.07574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LKiHjvHTWZI
Name 3-BUTYLCARBONYL-5-(2-NITRO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18ClN3O3S
InChI InChI=1S/C15H18ClN3O3S/c1-4-5-6-13(20)18-15(2,3)23-14(17-18)11-9-10(16)7-8-12(11)19(21)22/h7-9H,4-6H2,1-3H3
InChIKey BFMLLJNMEOFSEK-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 355.839 g/mol
Solvent CDCl3
Source File Reference UWBT16253