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3-PHENYLCARBONYL-5-(2-NITROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID Fusa1iEejFg
InChI InChI=1S/C17H15N3O3S/c1-17(2)19(16(21)12-8-4-3-5-9-12)18-15(24-17)13-10-6-7-11-14(13)20(22)23/h3-11H,1-2H3
InChIKey WQQGCEXVUGPTRU-UHFFFAOYSA-N
Mol Weight 341.39 g/mol
Molecular Formula C17H15N3O3S
Exact Mass 341.083413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DoSZzbYCoWM
Name 3-PHENYLCARBONYL-5-(2-NITROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H15N3O3S
InChI InChI=1S/C17H15N3O3S/c1-17(2)19(16(21)12-8-4-3-5-9-12)18-15(24-17)13-10-6-7-11-14(13)20(22)23/h3-11H,1-2H3
InChIKey WQQGCEXVUGPTRU-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 341.384 g/mol
Solvent CDCl3
Source File Reference UWBT16267