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3-benzyl-2-(benzylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID DQDnTCNbmY2
InChI InChI=1S/C25H24N2OS2/c28-24-22-20-14-8-3-9-15-21(20)30-23(22)26-25(29-17-19-12-6-2-7-13-19)27(24)16-18-10-4-1-5-11-18/h1-2,4-7,10-13H,3,8-9,14-17H2
InChIKey MAJQHMUJQDCHKO-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C25H24N2OS2
Exact Mass 432.133006 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3wu4qc5tgWJ
Name 3-benzyl-2-(benzylsulfanyl)-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/C25H24N2OS2/c28-24-22-20-14-8-3-9-15-21(20)30-23(22)26-25(29-17-19-12-6-2-7-13-19)27(24)16-18-10-4-1-5-11-18/h1-2,4-7,10-13H,3,8-9,14-17H2
InChIKey MAJQHMUJQDCHKO-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12120
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: 801139; Labnumber: AE95-672; VK_ID: VK-012125
Temperature 318 °C