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2-(1,3-benzodioxol-5-yl)-4-{[4-(2-fluorophenyl)-1-piperazinyl]carbonyl}quinoline
SpectraBase Compound ID GaPFvaAXe8w
InChI InChI=1S/C27H22FN3O3/c28-21-6-2-4-8-24(21)30-11-13-31(14-12-30)27(32)20-16-23(29-22-7-3-1-5-19(20)22)18-9-10-25-26(15-18)34-17-33-25/h1-10,15-16H,11-14,17H2
InChIKey VBDPCBZPQBUUKZ-UHFFFAOYSA-N
Mol Weight 455.49 g/mol
Molecular Formula C27H22FN3O3
Exact Mass 455.16452 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LVR0n1wU68V
Name 2-(1,3-benzodioxol-5-yl)-4-{[4-(2-fluorophenyl)-1-piperazinyl]carbonyl}quinoline
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H22FN3O3/c28-21-6-2-4-8-24(21)30-11-13-31(14-12-30)27(32)20-16-23(29-22-7-3-1-5-19(20)22)18-9-10-25-26(15-18)34-17-33-25/h1-10,15-16H,11-14,17H2
InChIKey VBDPCBZPQBUUKZ-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_2303
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9343755; Labnumber: AM-AC/0190870; UZI_ID: UZI-002305
Temperature 308 °C