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4-(7-chloro-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-{3-[4-(4-fluorophenyl)-1-piperazinyl]propyl}butanamide
SpectraBase Compound ID BNi150f5TEX
InChI InChI=1S/C25H29ClFN5O3/c26-18-4-9-21-22(17-18)29-25(35)32(24(21)34)12-1-3-23(33)28-10-2-11-30-13-15-31(16-14-30)20-7-5-19(27)6-8-20/h4-9,17H,1-3,10-16H2,(H,28,33)(H,29,35)
InChIKey QSQLEPUMAXISPJ-UHFFFAOYSA-N
Mol Weight 501.99 g/mol
Molecular Formula C25H29ClFN5O3
Exact Mass 501.194296 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LRRupg5iZsb
Name 4-(7-chloro-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-{3-[4-(4-fluorophenyl)-1-piperazinyl]propyl}butanamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.194295674 u
Formula C25H29ClFN5O3
InChI InChI=1S/C25H29ClFN5O3/c26-18-4-9-21-22(17-18)29-25(35)32(24(21)34)12-1-3-23(33)28-10-2-11-30-13-15-31(16-14-30)20-7-5-19(27)6-8-20/h4-9,17H,1-3,10-16H2,(H,28,33)(H,29,35)
InChIKey QSQLEPUMAXISPJ-UHFFFAOYSA-N
Molecular Weight 501.990 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7681
Solvent DMSO-d6
Source Vendor ID: NMR/13218344