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2-(benzylsulfanyl)-3-(cyclohexylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID LigFJ17G772
InChI InChI=1S/C24H28N2OS2/c27-23-21-19-13-7-8-14-20(19)29-22(21)25-24(28-16-18-11-5-2-6-12-18)26(23)15-17-9-3-1-4-10-17/h2,5-6,11-12,17H,1,3-4,7-10,13-16H2
InChIKey YSKWQRMBNWJAJU-UHFFFAOYSA-N
Mol Weight 424.62 g/mol
Molecular Formula C24H28N2OS2
Exact Mass 424.164306 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JeQzUsSMxKK
Name 2-(benzylsulfanyl)-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/C24H28N2OS2/c27-23-21-19-13-7-8-14-20(19)29-22(21)25-24(28-16-18-11-5-2-6-12-18)26(23)15-17-9-3-1-4-10-17/h2,5-6,11-12,17H,1,3-4,7-10,13-16H2
InChIKey YSKWQRMBNWJAJU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12332
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: 803496; Labnumber: BAD7-404; VK_ID: VK-012337
Temperature 308 °C