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2-chloro-N-{2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl}-5-(methylsulfanyl)benzamide
SpectraBase Compound ID 69l909ZaY6O
InChI InChI=1S/C28H27ClN2O5S/c1-33-24-11-16-8-9-30-23(19(16)14-26(24)35-3)10-17-12-25(34-2)27(36-4)15-22(17)31-28(32)20-13-18(37-5)6-7-21(20)29/h6-9,11-15H,10H2,1-5H3,(H,31,32)
InChIKey HHTCTTWJLQTWMP-UHFFFAOYSA-N
Mol Weight 539.05 g/mol
Molecular Formula C28H27ClN2O5S
Exact Mass 538.132921 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ESAiV8bIrg5
Name 2-chloro-N-{2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl}-5-(methylsulfanyl)benzamide
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/C28H27ClN2O5S/c1-33-24-11-16-8-9-30-23(19(16)14-26(24)35-3)10-17-12-25(34-2)27(36-4)15-22(17)31-28(32)20-13-18(37-5)6-7-21(20)29/h6-9,11-15H,10H2,1-5H3,(H,31,32)
InChIKey HHTCTTWJLQTWMP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_6283
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: 122861; Labnumber: SPPOL-017; VK_ID: VK-006286
Temperature 308 °C