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4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-6-bromo-2-(5-ethyl-2-thienyl)quinoline
SpectraBase Compound ID AFAfp0z979L
InChI InChI=1S/C28H26BrN3O3S/c1-2-20-5-8-27(36-20)24-15-22(21-14-19(29)4-6-23(21)30-24)28(33)32-11-9-31(10-12-32)16-18-3-7-25-26(13-18)35-17-34-25/h3-8,13-15H,2,9-12,16-17H2,1H3
InChIKey VKVLAYZXZJDPOF-UHFFFAOYSA-N
Mol Weight 564.5 g/mol
Molecular Formula C28H26BrN3O3S
Exact Mass 563.087826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 98EHs6ngEo5
Name 4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-6-bromo-2-(5-ethyl-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/C28H26BrN3O3S/c1-2-20-5-8-27(36-20)24-15-22(21-14-19(29)4-6-23(21)30-24)28(33)32-11-9-31(10-12-32)16-18-3-7-25-26(13-18)35-17-34-25/h3-8,13-15H,2,9-12,16-17H2,1H3
InChIKey VKVLAYZXZJDPOF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7105
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/1265714; Labnumber: COL4164; UZI_ID: UZI-007107
Temperature 318 °C