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3-PHENYLCARBONYL-5-(2-NITRO-5-METHOXYPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID 7JxlmNxsSqG
InChI InChI=1S/C18H17N3O4S/c1-18(2)20(17(22)12-7-5-4-6-8-12)19-16(26-18)14-11-13(25-3)9-10-15(14)21(23)24/h4-11H,1-3H3
InChIKey UIIIJFPYEAEPAW-UHFFFAOYSA-N
Mol Weight 371.41 g/mol
Molecular Formula C18H17N3O4S
Exact Mass 371.093977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4pRDhelTq48
Name 3-PHENYLCARBONYL-5-(2-NITRO-5-METHOXYPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17N3O4S
InChI InChI=1S/C18H17N3O4S/c1-18(2)20(17(22)12-7-5-4-6-8-12)19-16(26-18)14-11-13(25-3)9-10-15(14)21(23)24/h4-11H,1-3H3
InChIKey UIIIJFPYEAEPAW-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 371.411 g/mol
Solvent CDCl3
Source File Reference UWBT16249