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4-(4-CHLOROPHENYL)-2,3,6,7-TETRAHYDRO-8-METHOXY-7-METHYL-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
SpectraBase Compound ID B6AbWOJoMpk
InChI InChI=1S/C21H19ClN4O2/c1-26-20(27)18-19(25-21(26)28-2)24-17(13-6-4-3-5-7-13)12-16(23-18)14-8-10-15(22)11-9-14/h3-11,17,24H,12H2,1-2H3
InChIKey BFPBEFKVWGYBGU-UHFFFAOYSA-N
Mol Weight 394.86 g/mol
Molecular Formula C21H19ClN4O2
Exact Mass 394.119654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CUcYxp1VtW4
Name 4-(4-CHLOROPHENYL)-2,3,6,7-TETRAHYDRO-8-METHOXY-7-METHYL-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
Compound Number 3J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19ClN4O2
InChI InChI=1S/C21H19ClN4O2/c1-26-20(27)18-19(25-21(26)28-2)24-17(13-6-4-3-5-7-13)12-16(23-18)14-8-10-15(22)11-9-14/h3-11,17,24H,12H2,1-2H3
InChIKey BFPBEFKVWGYBGU-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 394.860 g/mol
Solvent CDCl3
Source File Reference UWCS16680