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1-(2-METHYLTHIOIMIDAZOL-1-YL)-2-(IMIDAZOL-1-YL)-ETHANE
SpectraBase Compound ID 9NZ4lzYL2bY
InChI InChI=1S/C9H12N4S/c1-14-9-11-3-5-13(9)7-6-12-4-2-10-8-12/h2-5,8H,6-7H2,1H3
InChIKey NZWOHODMLWCMEF-UHFFFAOYSA-N
Mol Weight 208.28 g/mol
Molecular Formula C9H12N4S
Exact Mass 208.078268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DMpHvA4XdH5
Name 1-(2-METHYLTHIOIMIDAZOL-1-YL)-2-(IMIDAZOL-1-YL)-ETHANE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N4S
InChI InChI=1S/C9H12N4S/c1-14-9-11-3-5-13(9)7-6-12-4-2-10-8-12/h2-5,8H,6-7H2,1H3
InChIKey NZWOHODMLWCMEF-UHFFFAOYSA-N
Literature Reference Author E.DIEZ-BARRA,A.HERRERA,A.DELAHOZ,J.TEJEDA
Literature Reference Citation HETEROCYCLES,43,985(1996)
Literature Reference DOI 10.3987/COM-95-7383
Molecular Weight 208.281 g/mol
Solvent CDCl3
Source File Reference UWCP7779