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2,3,6,7-TETRAHYDRO-7-METHYL-8-METHYLTHIO-3-(3-OXO-1,3-DIPHENYLPROPYL)-2,4-DIPHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE

View entire compound with spectra: 1 NMR

2,3,6,7-TETRAHYDRO-7-METHYL-8-METHYLTHIO-3-(3-OXO-1,3-DIPHENYLPROPYL)-2,4-DIPHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
SpectraBase Compound ID APPL8MuFcIz
InChI InChI=1S/C36H32N4O2S/c1-40-35(42)33-34(39-36(40)43-2)38-32(27-21-13-6-14-22-27)30(31(37-33)26-19-11-5-12-20-26)28(24-15-7-3-8-16-24)23-29(41)25-17-9-4-10-18-25/h3-22,28,30,32,38H,23H2,1-2H3/t28-,30-,32+/m1/s1
InChIKey LFPQQDRLZUFZET-MZMVFCBMSA-N
Mol Weight 584.7 g/mol
Molecular Formula C36H32N4O2S
Exact Mass 584.224597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID gJq8rxCp6e
Name 2,3,6,7-TETRAHYDRO-7-METHYL-8-METHYLTHIO-3-(3-OXO-1,3-DIPHENYLPROPYL)-2,4-DIPHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H32N4O2S
InChI InChI=1S/C36H32N4O2S/c1-40-35(42)33-34(39-36(40)43-2)38-32(27-21-13-6-14-22-27)30(31(37-33)26-19-11-5-12-20-26)28(24-15-7-3-8-16-24)23-29(41)25-17-9-4-10-18-25/h3-22,28,30,32,38H,23H2,1-2H3/t28-,30-,32+/m1/s1
InChIKey LFPQQDRLZUFZET-MZMVFCBMSA-N
Literature Reference Author B.INSUASTY,M.RAMOS,R.MORENO,J.QUIROGA,A.SANCHEZ,M.NOGUERAS,N .HANOLD,H.MEIER
Literature Reference Citation J.HETCYCL.CHEM.,32,1229(1995)
Literature Reference DOI 10.1002/jhet.5570320423
Molecular Weight 584.736 g/mol
Solvent DMSO-D6
Source File Reference UWMK373