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2-(5-chloro-2-thienyl)-N-(3-{4-[3-({[2-(5-chloro-2-thienyl)-4-quinolinyl]carbonyl}amino)propyl]-1-piperazinyl}propyl)-4-quinolinecarboxamide
SpectraBase Compound ID HJP5XHcZAzi
InChI InChI=1S/C38H36Cl2N6O2S2/c39-35-13-11-33(49-35)31-23-27(25-7-1-3-9-29(25)43-31)37(47)41-15-5-17-45-19-21-46(22-20-45)18-6-16-42-38(48)28-24-32(34-12-14-36(40)50-34)44-30-10-4-2-8-26(28)30/h1-4,7-14,23-24H,5-6,15-22H2,(H,41,47)(H,42,48)
InChIKey JIPZNFNBVQYKMV-UHFFFAOYSA-N
Mol Weight 743.8 g/mol
Molecular Formula C38H36Cl2N6O2S2
Exact Mass 742.171822 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FQ8krQmOuI
Name 2-(5-chloro-2-thienyl)-N-(3-{4-[3-({[2-(5-chloro-2-thienyl)-4-quinolinyl]carbonyl}amino)propyl]-1-piperazinyl}propyl)-4-quinolinecarboxamide
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/C38H36Cl2N6O2S2/c39-35-13-11-33(49-35)31-23-27(25-7-1-3-9-29(25)43-31)37(47)41-15-5-17-45-19-21-46(22-20-45)18-6-16-42-38(48)28-24-32(34-12-14-36(40)50-34)44-30-10-4-2-8-26(28)30/h1-4,7-14,23-24H,5-6,15-22H2,(H,41,47)(H,42,48)
InChIKey JIPZNFNBVQYKMV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16822
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/8184817; UBI_ID: UBI-016825
Temperature 308 °C