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2-[(3-chlorobenzyl)sulfanyl]-3-(3-methoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID HzxmiqkVokJ
InChI InChI=1S/C21H19ClN2O2S2/c1-26-11-5-10-24-20(25)19-18(16-8-2-3-9-17(16)28-19)23-21(24)27-13-14-6-4-7-15(22)12-14/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKey ASGYSFIGQKTKIE-UHFFFAOYSA-N
Mol Weight 430.97 g/mol
Molecular Formula C21H19ClN2O2S2
Exact Mass 430.057648 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DCNlmbRJAlN
Name 2-[(3-chlorobenzyl)sulfanyl]-3-(3-methoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.057647906 u
Formula C21H19ClN2O2S2
InChI InChI=1S/C21H19ClN2O2S2/c1-26-11-5-10-24-20(25)19-18(16-8-2-3-9-17(16)28-19)23-21(24)27-13-14-6-4-7-15(22)12-14/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKey ASGYSFIGQKTKIE-UHFFFAOYSA-N
Molecular Weight 430.968 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7106
Solvent DMSO-d6
Source Vendor ID: NMR/12329641