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2-(4-Benzylpiperazin-1-yl)-6-(phenylsulfonyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SpectraBase Compound ID BDwGZoYH6oX
InChI InChI=1S/C25H28N4O3S/c30-24-22-17-21(33(31,32)20-9-5-2-6-10-20)11-12-23(22)26-25(27-24)29-15-13-28(14-16-29)18-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,26,27,30)
InChIKey RYFZQUPWAYRDMM-UHFFFAOYSA-N
Mol Weight 464.58 g/mol
Molecular Formula C25H28N4O3S
Exact Mass 464.188212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9e9PV7ooecZ
Name 2-(4-BENZYLPIPERAZIN-1-YL)-6-(PHENYLSULFONYL)-5,6,7,8-TETRAHYDRO-3H-QUINAZOLIN-4-ONE
Compound Number 12K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28N4O3S
InChI InChI=1S/C25H28N4O3S/c30-24-22-17-21(33(31,32)20-9-5-2-6-10-20)11-12-23(22)26-25(27-24)29-15-13-28(14-16-29)18-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,26,27,30)
InChIKey RYFZQUPWAYRDMM-UHFFFAOYSA-N
Literature Reference Author S.DALAI,V.N.BELOV,S.NIZAMOV,K.RAUCH,D.KINSINGER,A.D.MEIJERE
Literature Reference Citation EUR.J.ORG.CHEM.,2753(2006)
Molecular Weight 464.582 g/mol
Sample ID 43771
Solvent DMSO-D6