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4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-2-(2-chlorophenyl)quinoline
SpectraBase Compound ID KnzOvYjF2VN
InChI InChI=1S/C28H24ClN3O3/c29-23-7-3-1-6-21(23)25-16-22(20-5-2-4-8-24(20)30-25)28(33)32-13-11-31(12-14-32)17-19-9-10-26-27(15-19)35-18-34-26/h1-10,15-16H,11-14,17-18H2
InChIKey VANVBHCDDSNVCD-UHFFFAOYSA-N
Mol Weight 485.97 g/mol
Molecular Formula C28H24ClN3O3
Exact Mass 485.150619 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AIv4wS3Jq5t
Name 4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-2-(2-chlorophenyl)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/C28H24ClN3O3/c29-23-7-3-1-6-21(23)25-16-22(20-5-2-4-8-24(20)30-25)28(33)32-13-11-31(12-14-32)17-19-9-10-26-27(15-19)35-18-34-26/h1-10,15-16H,11-14,17-18H2
InChIKey VANVBHCDDSNVCD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_2349
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/9349205; Labnumber: AM-AC/0193565; UZI_ID: UZI-002351
Temperature 318 °C