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2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(cyclohexylmethyl)-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-(cyclohexylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID E8QgnvitPTR
InChI InChI=1S/C25H27ClN2O2S2/c26-18-12-10-17(11-13-18)20(29)15-31-25-27-23-22(19-8-4-5-9-21(19)32-23)24(30)28(25)14-16-6-2-1-3-7-16/h10-13,16H,1-9,14-15H2
InChIKey NJGATLIYWIBHSU-UHFFFAOYSA-N
Mol Weight 487.08 g/mol
Molecular Formula C25H27ClN2O2S2
Exact Mass 486.120248 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GfyzRd9h9H4
Name 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(cyclohexylmethyl)-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/C25H27ClN2O2S2/c26-18-12-10-17(11-13-18)20(29)15-31-25-27-23-22(19-8-4-5-9-21(19)32-23)24(30)28(25)14-16-6-2-1-3-7-16/h10-13,16H,1-9,14-15H2
InChIKey NJGATLIYWIBHSU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12325
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: 803500; Labnumber: BAD7-408; VK_ID: VK-012330
Temperature 308 °C