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4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-6-bromo-2-(4-ethylphenyl)quinoline
SpectraBase Compound ID 87HIKcZerfh
InChI InChI=1S/C30H28BrN3O3/c1-2-20-3-6-22(7-4-20)27-17-25(24-16-23(31)8-9-26(24)32-27)30(35)34-13-11-33(12-14-34)18-21-5-10-28-29(15-21)37-19-36-28/h3-10,15-17H,2,11-14,18-19H2,1H3
InChIKey LRRCFRQTPTULSQ-UHFFFAOYSA-N
Mol Weight 558.48 g/mol
Molecular Formula C30H28BrN3O3
Exact Mass 557.131405 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5FcQOswLB0g
Name 4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-6-bromo-2-(4-ethylphenyl)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/C30H28BrN3O3/c1-2-20-3-6-22(7-4-20)27-17-25(24-16-23(31)8-9-26(24)32-27)30(35)34-13-11-33(12-14-34)18-21-5-10-28-29(15-21)37-19-36-28/h3-10,15-17H,2,11-14,18-19H2,1H3
InChIKey LRRCFRQTPTULSQ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_2351
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/9367640; Labnumber: AM-AC/0193605; UZI_ID: UZI-002353
Temperature 305 °C