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4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-3-methyl-2-(4-methylphenyl)quinoline
SpectraBase Compound ID 89xKENFa5Sn
InChI InChI=1S/C30H29N3O3/c1-20-7-10-23(11-8-20)29-21(2)28(24-5-3-4-6-25(24)31-29)30(34)33-15-13-32(14-16-33)18-22-9-12-26-27(17-22)36-19-35-26/h3-12,17H,13-16,18-19H2,1-2H3
InChIKey WSNLEFMTOZLIAU-UHFFFAOYSA-N
Mol Weight 479.58 g/mol
Molecular Formula C30H29N3O3
Exact Mass 479.220892 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9FwutvYL7KH
Name 4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-3-methyl-2-(4-methylphenyl)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/C30H29N3O3/c1-20-7-10-23(11-8-20)29-21(2)28(24-5-3-4-6-25(24)31-29)30(34)33-15-13-32(14-16-33)18-22-9-12-26-27(17-22)36-19-35-26/h3-12,17H,13-16,18-19H2,1-2H3
InChIKey WSNLEFMTOZLIAU-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8162
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/9028442; UBI_ID: UBI-008165
Temperature 313 °C