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2-CHLORO-5-NITRO-(THIETAN-3-YL)-BENZIMIDAZOLE
SpectraBase Compound ID 23XXWSbCQak
InChI InChI=1S/C10H8ClN3O2S/c11-10-12-8-3-6(14(15)16)1-2-9(8)13(10)7-4-17-5-7/h1-3,7H,4-5H2
InChIKey RZXBMTFEDSZDEZ-UHFFFAOYSA-N
Mol Weight 269.71 g/mol
Molecular Formula C10H8ClN3O2S
Exact Mass 269.002575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4KdGtLpN893
Name 2-CHLORO-5-NITRO-(THIETAN-3-YL)-BENZIMIDAZOLE
Compound Number IIA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H8ClN3O2S
InChI InChI=1S/C10H8ClN3O2S/c11-10-12-8-3-6(14(15)16)1-2-9(8)13(10)7-4-17-5-7/h1-3,7H,4-5H2
InChIKey RZXBMTFEDSZDEZ-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 269.705 g/mol
Solvent CDCl3
Source File Reference UWMZ10417