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2,3,6,7-TETRAHYDRO-8-METHYLTHIO-2,4-DIPHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
SpectraBase Compound ID BpE4JF2ArxR
InChI InChI=1S/C20H18N4OS/c1-26-20-23-18-17(19(25)24-20)21-15(13-8-4-2-5-9-13)12-16(22-18)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H2,22,23,24,25)
InChIKey BVNFLIXAWRAJSD-UHFFFAOYSA-N
Mol Weight 362.45 g/mol
Molecular Formula C20H18N4OS
Exact Mass 362.120132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5OwWsQDfLlq
Name 2,3,6,7-TETRAHYDRO-8-METHYLTHIO-2,4-DIPHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18N4OS
InChI InChI=1S/C20H18N4OS/c1-26-20-23-18-17(19(25)24-20)21-15(13-8-4-2-5-9-13)12-16(22-18)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H2,22,23,24,25)
InChIKey BVNFLIXAWRAJSD-UHFFFAOYSA-N
Literature Reference Author B.INSUASTY,M.RAMOS,J.QUIROGA,A.SANCHEZ,M.NOGUERAS,N.HANOLD,H .MEIER
Literature Reference Citation J.HETCYCL.CHEM.,31,61(1994)
Literature Reference DOI 10.1002/jhet.5570310111
Molecular Weight 362.449 g/mol
Solvent DMSO-D6
Source File Reference UWCS16675