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3-CYCLOBUTYLCARBONYL-5-(2-NITROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID JwMS4QEIIGy
InChI InChI=1S/C15H17N3O3S/c1-15(2)17(14(19)10-6-5-7-10)16-13(22-15)11-8-3-4-9-12(11)18(20)21/h3-4,8-10H,5-7H2,1-2H3
InChIKey CWZCOSLETFHRJY-UHFFFAOYSA-N
Mol Weight 319.38 g/mol
Molecular Formula C15H17N3O3S
Exact Mass 319.099063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4XQoDBzq1ih
Name 3-CYCLOBUTYLCARBONYL-5-(2-NITROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H17N3O3S
InChI InChI=1S/C15H17N3O3S/c1-15(2)17(14(19)10-6-5-7-10)16-13(22-15)11-8-3-4-9-12(11)18(20)21/h3-4,8-10H,5-7H2,1-2H3
InChIKey CWZCOSLETFHRJY-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 319.378 g/mol
Solvent CDCl3
Source File Reference UWBT16264