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4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-2-(4-isopropylphenyl)quinoline
SpectraBase Compound ID A0SmYUaI3Ix
InChI InChI=1S/C31H31N3O3/c1-21(2)23-8-10-24(11-9-23)28-18-26(25-5-3-4-6-27(25)32-28)31(35)34-15-13-33(14-16-34)19-22-7-12-29-30(17-22)37-20-36-29/h3-12,17-18,21H,13-16,19-20H2,1-2H3
InChIKey QIBVGPLAFKURJH-UHFFFAOYSA-N
Mol Weight 493.61 g/mol
Molecular Formula C31H31N3O3
Exact Mass 493.236542 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DuTxk5OdBzG
Name 4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-2-(4-isopropylphenyl)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/C31H31N3O3/c1-21(2)23-8-10-24(11-9-23)28-18-26(25-5-3-4-6-27(25)32-28)31(35)34-15-13-33(14-16-34)19-22-7-12-29-30(17-22)37-20-36-29/h3-12,17-18,21H,13-16,19-20H2,1-2H3
InChIKey QIBVGPLAFKURJH-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_2350
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/9353060; Labnumber: AM-AC/0193593; UZI_ID: UZI-002352
Temperature 308 °C