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2,3,6,7-TETRAHYDRO-4-(4-METHOXYPHENYL)-8-METHYLTHIO-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
SpectraBase Compound ID 5foeQ4Xnroh
InChI InChI=1S/C21H20N4O2S/c1-27-15-10-8-14(9-11-15)16-12-17(13-6-4-3-5-7-13)23-19-18(22-16)20(26)25-21(24-19)28-2/h3-11,17H,12H2,1-2H3,(H2,23,24,25,26)
InChIKey INZLDVKUKZXJNL-UHFFFAOYSA-N
Mol Weight 392.48 g/mol
Molecular Formula C21H20N4O2S
Exact Mass 392.130697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 85Eb7l3wG7Y
Name 2,3,6,7-TETRAHYDRO-4-(4-METHOXYPHENYL)-8-METHYLTHIO-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20N4O2S
InChI InChI=1S/C21H20N4O2S/c1-27-15-10-8-14(9-11-15)16-12-17(13-6-4-3-5-7-13)23-19-18(22-16)20(26)25-21(24-19)28-2/h3-11,17H,12H2,1-2H3,(H2,23,24,25,26)
InChIKey INZLDVKUKZXJNL-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 392.475 g/mol
Solvent DMSO-D6
Source File Reference UWCS16677