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BENZOTRIAZOL-1-YL-METHYL-(PHENYL)-[2,4,6-(1H,3H,5H)-PYRIMIDINETRION-5-YL]-METHYL-THIOETHER
SpectraBase Compound ID tD3TRgv2Y8
InChI InChI=1S/C18H15N5O3S/c24-16-14(17(25)20-18(26)19-16)15(11-6-2-1-3-7-11)27-10-23-13-9-5-4-8-12(13)21-22-23/h1-9,14-15H,10H2,(H2,19,20,24,25,26)
InChIKey HXKNZMWSSXUBNG-UHFFFAOYSA-N
Mol Weight 381.41 g/mol
Molecular Formula C18H15N5O3S
Exact Mass 381.089561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID jhV4ssw4Sb
Name BENZOTRIAZOL-1-YL-METHYL-(PHENYL)-[2,4,6-(1H,3H,5H)-PYRIMIDINETRION-5-YL]-METHYL-THIOETHER
Compound Number 45
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H15N5O3S
InChI InChI=1S/C18H15N5O3S/c24-16-14(17(25)20-18(26)19-16)15(11-6-2-1-3-7-11)27-10-23-13-9-5-4-8-12(13)21-22-23/h1-9,14-15H,10H2,(H2,19,20,24,25,26)
InChIKey HXKNZMWSSXUBNG-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 381.409 g/mol
Solvent DMSO-D6
Source File Reference UWCS21906