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3-butyl-2-(methylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID HXnN8DGW2xg
InChI InChI=1S/C16H22N2OS2/c1-3-4-10-18-15(19)13-11-8-6-5-7-9-12(11)21-14(13)17-16(18)20-2/h3-10H2,1-2H3
InChIKey DFBYFLJUEVFSAP-UHFFFAOYSA-N
Mol Weight 322.49 g/mol
Molecular Formula C16H22N2OS2
Exact Mass 322.117356 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3Sb9IAeTbnh
Name 3-butyl-2-(methylsulfanyl)-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/C16H22N2OS2/c1-3-4-10-18-15(19)13-11-8-6-5-7-9-12(11)21-14(13)17-16(18)20-2/h3-10H2,1-2H3
InChIKey DFBYFLJUEVFSAP-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12158
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: 801231; Labnumber: AE95-774; VK_ID: VK-012163
Temperature 318 °C