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3-CYCLOPROPYLCARBONYL-5-(2-NITRO-5-METHOXYPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID G48gjw4JZZ2
InChI InChI=1S/C15H17N3O4S/c1-15(2)17(14(19)9-4-5-9)16-13(23-15)11-8-10(22-3)6-7-12(11)18(20)21/h6-9H,4-5H2,1-3H3
InChIKey ASSWFPVXOPYVJN-UHFFFAOYSA-N
Mol Weight 335.38 g/mol
Molecular Formula C15H17N3O4S
Exact Mass 335.093977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 92KFrw6evqn
Name 3-CYCLOPROPYLCARBONYL-5-(2-NITRO-5-METHOXYPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H17N3O4S
InChI InChI=1S/C15H17N3O4S/c1-15(2)17(14(19)9-4-5-9)16-13(23-15)11-8-10(22-3)6-7-12(11)18(20)21/h6-9H,4-5H2,1-3H3
InChIKey ASSWFPVXOPYVJN-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 335.378 g/mol
Solvent CDCl3
Source File Reference UWBT16245