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4-(4-Benzhydryl-1-piperazinyl)-2-(4-bromophenyl)quinazoline

View entire compound with spectra: 2 NMR

4-(4-Benzhydryl-1-piperazinyl)-2-(4-bromophenyl)quinazoline
SpectraBase Compound ID 8bNeg2KPNTd
InChI InChI=1S/C31H27BrN4/c32-26-17-15-25(16-18-26)30-33-28-14-8-7-13-27(28)31(34-30)36-21-19-35(20-22-36)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-18,29H,19-22H2
InChIKey IBPZSQBPLLJRCU-UHFFFAOYSA-N
Mol Weight 535.49 g/mol
Molecular Formula C31H27BrN4
Exact Mass 534.14191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22z6TW3Y06L
Name 4-(4-Benzhydryl-1-piperazinyl)-2-(4-bromophenyl)quinazoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 534.141909885 u
Formula C31H27BrN4
InChI InChI=1S/C31H27BrN4/c32-26-17-15-25(16-18-26)30-33-28-14-8-7-13-27(28)31(34-30)36-21-19-35(20-22-36)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-18,29H,19-22H2
InChIKey IBPZSQBPLLJRCU-UHFFFAOYSA-N
Molecular Weight 535.489 g/mol
SMILES C=1C=CC(C(N2CCN(C3=NC(=NC4=CC=CC=C34)C=3C=CC(=CC3)Br)CC2)C=2C=CC=CC2)=CC1