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2-(benzylsulfanyl)-3-cyclohexyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID K3vu5RbU5V0
InChI InChI=1S/C24H28N2OS2/c27-23-21-19-14-8-3-9-15-20(19)29-22(21)25-24(26(23)18-12-6-2-7-13-18)28-16-17-10-4-1-5-11-17/h1,4-5,10-11,18H,2-3,6-9,12-16H2
InChIKey KDGHUWZJFRGGJB-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 36ei09XDzS5
Name 2-(benzylsulfanyl)-3-cyclohexyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-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/c27-23-21-19-14-8-3-9-15-20(19)29-22(21)25-24(26(23)18-12-6-2-7-13-18)28-16-17-10-4-1-5-11-17/h1,4-5,10-11,18H,2-3,6-9,12-16H2
InChIKey KDGHUWZJFRGGJB-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12108
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: 801159; Labnumber: AE95-699; VK_ID: VK-012113
Temperature 318 °C