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3-benzyl-7-tert-butyl-2-(hexylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID HDnLCpm2ehA
InChI InChI=1S/C27H36N2OS2/c1-5-6-7-11-16-31-26-28-24-23(25(30)29(26)18-19-12-9-8-10-13-19)21-15-14-20(27(2,3)4)17-22(21)32-24/h8-10,12-13,20H,5-7,11,14-18H2,1-4H3
InChIKey ZOKSZSODJMHGES-UHFFFAOYSA-N
Mol Weight 468.7 g/mol
Molecular Formula C27H36N2OS2
Exact Mass 468.226906 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID lcd5y7hVuW
Name 3-benzyl-7-tert-butyl-2-(hexylsulfanyl)-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/C27H36N2OS2/c1-5-6-7-11-16-31-26-28-24-23(25(30)29(26)18-19-12-9-8-10-13-19)21-15-14-20(27(2,3)4)17-22(21)32-24/h8-10,12-13,20H,5-7,11,14-18H2,1-4H3
InChIKey ZOKSZSODJMHGES-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_11945
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: 800780; Labnumber: AE95-464; VK_ID: VK-011950
Temperature 318 °C