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2-[(3-chlorobenzyl)sulfanyl]-3-(2-hydroxyethyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID vb6nL4DGOa
InChI InChI=1S/C19H15ClN2O2S2/c20-13-5-3-4-12(10-13)11-25-19-21-16-14-6-1-2-7-15(14)26-17(16)18(24)22(19)8-9-23/h1-7,10,23H,8-9,11H2
InChIKey PTLWPHUOFNBKAO-UHFFFAOYSA-N
Mol Weight 402.91 g/mol
Molecular Formula C19H15ClN2O2S2
Exact Mass 402.026348 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LXUVH7lT3I0
Name 2-[(3-chlorobenzyl)sulfanyl]-3-(2-hydroxyethyl)[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 402.026347777 u
Formula C19H15ClN2O2S2
InChI InChI=1S/C19H15ClN2O2S2/c20-13-5-3-4-12(10-13)11-25-19-21-16-14-6-1-2-7-15(14)26-17(16)18(24)22(19)8-9-23/h1-7,10,23H,8-9,11H2
InChIKey PTLWPHUOFNBKAO-UHFFFAOYSA-N
Molecular Weight 402.914 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7820
Solvent DMSO-d6
Source Vendor ID: NMR/13218572