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2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

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2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID DhX4gINpe6W
InChI InChI=1S/C25H21ClN2O2S2/c1-15-6-12-18(13-7-15)28-24(30)22-19-4-2-3-5-21(19)32-23(22)27-25(28)31-14-20(29)16-8-10-17(26)11-9-16/h6-13H,2-5,14H2,1H3
InChIKey KHOFELZHWJUVSR-UHFFFAOYSA-N
Mol Weight 481.03 g/mol
Molecular Formula C25H21ClN2O2S2
Exact Mass 480.073298 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3SKMbuWpq4O
Name 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-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/C25H21ClN2O2S2/c1-15-6-12-18(13-7-15)28-24(30)22-19-4-2-3-5-21(19)32-23(22)27-25(28)31-14-20(29)16-8-10-17(26)11-9-16/h6-13H,2-5,14H2,1H3
InChIKey KHOFELZHWJUVSR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12324
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: 803501; Labnumber: BAD7-409; VK_ID: VK-012329
Temperature 308 °C