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BENZOTRIAZOL-1-YL-METHYL-(PHENYL)-(1,3-CYCLOHEXADION-2-YL)-METHYL-THIOETHER
SpectraBase Compound ID C6VwW0gFCfJ
InChI InChI=1S/C20H19N3O2S/c24-17-11-6-12-18(25)19(17)20(14-7-2-1-3-8-14)26-13-23-16-10-5-4-9-15(16)21-22-23/h1-5,7-10,20,24H,6,11-13H2
InChIKey WTNITEUZVMYVQE-UHFFFAOYSA-N
Mol Weight 365.45 g/mol
Molecular Formula C20H19N3O2S
Exact Mass 365.119798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 95e3Kmfe6Lj
Name BENZOTRIAZOL-1-YL-METHYL-(PHENYL)-(1,3-CYCLOHEXADION-2-YL)-METHYL-THIOETHER
Compound Number 46
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H19N3O2S
InChI InChI=1S/C20H19N3O2S/c24-17-11-6-12-18(25)19(17)20(14-7-2-1-3-8-14)26-13-23-16-10-5-4-9-15(16)21-22-23/h1-5,7-10,20,24H,6,11-13H2
InChIKey WTNITEUZVMYVQE-UHFFFAOYSA-N
Literature Reference Author A.R.KATRITZKY,I.GHIVIRIGA,D.C.ONICIU,F.SOTI
Literature Reference Citation J.HETCYCL.CHEM.,33,1927(1996)
Literature Reference DOI 10.1002/jhet.5570330661
Molecular Weight 365.450 g/mol
Solvent DMSO-D6
Source File Reference UWCS21907