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2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID ASNB2xX8YRp
InChI InChI=1S/C19H17ClN2O2S2/c1-22-18(24)16-13-4-2-3-5-15(13)26-17(16)21-19(22)25-10-14(23)11-6-8-12(20)9-7-11/h6-9H,2-5,10H2,1H3
InChIKey XKMAKVQZXKJLMQ-UHFFFAOYSA-N
Mol Weight 404.93 g/mol
Molecular Formula C19H17ClN2O2S2
Exact Mass 404.041998 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 58oxZOk1LVl
Name 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
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/C19H17ClN2O2S2/c1-22-18(24)16-13-4-2-3-5-15(13)26-17(16)21-19(22)25-10-14(23)11-6-8-12(20)9-7-11/h6-9H,2-5,10H2,1H3
InChIKey XKMAKVQZXKJLMQ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12233
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: 803538; Labnumber: BAD8-0193; VK_ID: VK-012238
Temperature 313 °C