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4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-6-chloro-2-(5-methyl-2-thienyl)quinoline
SpectraBase Compound ID 8XzDm2rZ9Ij
InChI InChI=1S/C27H24ClN3O3S/c1-17-2-7-26(35-17)23-14-21(20-13-19(28)4-5-22(20)29-23)27(32)31-10-8-30(9-11-31)15-18-3-6-24-25(12-18)34-16-33-24/h2-7,12-14H,8-11,15-16H2,1H3
InChIKey IDZJTEVHPKCAPR-UHFFFAOYSA-N
Mol Weight 506.02 g/mol
Molecular Formula C27H24ClN3O3S
Exact Mass 505.122691 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EkFZSZnIAZH
Name 4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-6-chloro-2-(5-methyl-2-thienyl)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/C27H24ClN3O3S/c1-17-2-7-26(35-17)23-14-21(20-13-19(28)4-5-22(20)29-23)27(32)31-10-8-30(9-11-31)15-18-3-6-24-25(12-18)34-16-33-24/h2-7,12-14H,8-11,15-16H2,1H3
InChIKey IDZJTEVHPKCAPR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6631
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/1267233; Labnumber: COL2995; UZI_ID: UZI-006633
Temperature 318 °C