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2-(2-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)-N,N-dimethylethanaminium chloride

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2-(2-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)-N,N-dimethylethanaminium chloride
SpectraBase Compound ID C1oQuOhO6n0
InChI InChI=1S/C24H26N4O2S2.ClH/c1-4-16-9-11-17(12-10-16)25-20(29)15-31-24-26-21-18-7-5-6-8-19(18)32-22(21)23(30)28(24)14-13-27(2)3;/h5-12H,4,13-15H2,1-3H3,(H,25,29);1H
InChIKey AVJIBLVHRNSYAX-UHFFFAOYSA-N
Mol Weight 503.08 g/mol
Molecular Formula C24H27ClN4O2S2
Exact Mass 502.126396 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K8JOlXryNlr
Name 2-(2-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)-N,N-dimethylethanaminium chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.126396171 u
Formula C24H27ClN4O2S2
InChI InChI=1S/C24H26N4O2S2.ClH/c1-4-16-9-11-17(12-10-16)25-20(29)15-31-24-26-21-18-7-5-6-8-19(18)32-22(21)23(30)28(24)14-13-27(2)3;/h5-12H,4,13-15H2,1-3H3,(H,25,29);1H
InChIKey AVJIBLVHRNSYAX-UHFFFAOYSA-N
Molecular Weight 503.079 g/mol
NMR Offset 17.9981
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9819
Solvent DMSO-d6
Source Vendor ID: NMR/13229880