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4-(4-CHLOROPHENYL)-2,3,6,7-TETRAHYDRO-8-METHOXY-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
SpectraBase Compound ID LaEbWnhudrl
InChI InChI=1S/C20H17ClN4O2/c1-27-20-24-18-17(19(26)25-20)22-15(13-7-9-14(21)10-8-13)11-16(23-18)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H2,23,24,25,26)
InChIKey BZKCCJAWOVQKQV-UHFFFAOYSA-N
Mol Weight 380.84 g/mol
Molecular Formula C20H17ClN4O2
Exact Mass 380.104004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EjfKuOV6ZzP
Name 4-(4-CHLOROPHENYL)-2,3,6,7-TETRAHYDRO-8-METHOXY-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17ClN4O2
InChI InChI=1S/C20H17ClN4O2/c1-27-20-24-18-17(19(26)25-20)22-15(13-7-9-14(21)10-8-13)11-16(23-18)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H2,23,24,25,26)
InChIKey BZKCCJAWOVQKQV-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 380.834 g/mol
Solvent DMSO-D6
Source File Reference UWCS16671