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3-[3-(4-Phenyl-1-piperazinyl)propyl]-2,4(1H,3H)-quinazolinedione, tms

View entire compound with spectra: 1 NMR

3-[3-(4-Phenyl-1-piperazinyl)propyl]-2,4(1H,3H)-quinazolinedione, tms
SpectraBase Compound ID 8xarlBT5Yz9
InChI InChI=1S/C24H32N4O2Si/c1-31(2,3)30-24-25-22-13-8-7-12-21(22)23(29)28(24)15-9-14-26-16-18-27(19-17-26)20-10-5-4-6-11-20/h4-8,10-13H,9,14-19H2,1-3H3
InChIKey BVLRVYQNEDVKHO-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C24H32N4O2Si
Exact Mass 436.229453 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ApQ77QqZGyy
Name 3-[3-(4-Phenyl-1-piperazinyl)propyl]-2,4(1H,3H)-quinazolinedione, tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.229452819 u
Formula C24H32N4O2Si
InChI InChI=1S/C24H32N4O2Si/c1-31(2,3)30-24-25-22-13-8-7-12-21(22)23(29)28(24)15-9-14-26-16-18-27(19-17-26)20-10-5-4-6-11-20/h4-8,10-13H,9,14-19H2,1-3H3
InChIKey BVLRVYQNEDVKHO-UHFFFAOYSA-N
Molecular Weight 436.631 g/mol
SMILES C1(=NC2=C(C(N1CCCN1CCN(CC1)C1=CC=CC=C1)=O)C=CC=C2)O[Si](C)(C)C