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2-(2-CHLORO-6-NITROIMIDAZOL-1-YLMETHYL)-7-NITRO-2,3-DIHYDROTHIAZOLO-[1.2-A]-BENZIMIDAZOLE
SpectraBase Compound ID DHXxnjkKLrA
InChI InChI=1S/C17H11ClN6O4S/c18-16-19-12-3-1-9(23(25)26)5-14(12)21(16)7-11-8-22-15-6-10(24(27)28)2-4-13(15)20-17(22)29-11/h1-6,11H,7-8H2
InChIKey BGQXZMSHONTACY-UHFFFAOYSA-N
Mol Weight 430.83 g/mol
Molecular Formula C17H11ClN6O4S
Exact Mass 430.025102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID nU7JjWsuP8
Name 2-(2-CHLORO-6-NITROIMIDAZOL-1-YLMETHYL)-7-NITRO-2,3-DIHYDROTHIAZOLO-[1.2-A]-BENZIMIDAZOLE
Compound Number IIIC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H11ClN6O4S
InChI InChI=1S/C17H11ClN6O4S/c18-16-19-12-3-1-9(23(25)26)5-14(12)21(16)7-11-8-22-15-6-10(24(27)28)2-4-13(15)20-17(22)29-11/h1-6,11H,7-8H2
InChIKey BGQXZMSHONTACY-UHFFFAOYSA-N
Literature Reference Author V.A.KATAEV,L.V.SPIRIKHIN,A.N.KHALIULLIN,I.A.GAILYUNAS
Literature Reference Citation RUSS.J.ORG.CHEM.,38,1507(2002)
Literature Reference DOI 10.1023/A:1022516824376
Molecular Weight 430.825 g/mol
Solvent DMSO-D6
Source File Reference UWMZ10421