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(BENZOTHIAZOL-2-YL)-(BENZOTHIAZOL-2-YLTHIO)-(BENZOTRIAZOL-1-YL)-METHANE
SpectraBase Compound ID 9bcwPYvyhVd
InChI InChI=1S/C21H13N5S3/c1-4-10-16-13(7-1)24-25-26(16)20(19-22-14-8-2-5-11-17(14)27-19)29-21-23-15-9-3-6-12-18(15)28-21/h1-12,20H
InChIKey YWKMRDDGUACSOD-UHFFFAOYSA-N
Mol Weight 431.55 g/mol
Molecular Formula C21H13N5S3
Exact Mass 431.033309 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A1W7zyVXaEn
Name (BENZOTHIAZOL-2-YL)-(BENZOTHIAZOL-2-YLTHIO)-(BENZOTRIAZOL-1-YL)-METHANE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H13N5S3
InChI InChI=1S/C21H13N5S3/c1-4-10-16-13(7-1)24-25-26(16)20(19-22-14-8-2-5-11-17(14)27-19)29-21-23-15-9-3-6-12-18(15)28-21/h1-12,20H
InChIKey YWKMRDDGUACSOD-UHFFFAOYSA-N
Literature Reference Author A.R.KATRITZKY,I.GHIVIRIGA,D.J.CUNDY,P.J.STEEL
Literature Reference Citation HETEROCYCLES,38,1041(1994)
Literature Reference DOI 10.3987/COM-93-6653
Molecular Weight 431.548 g/mol
Solvent CDCl3
Source File Reference UWRK3584