For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(benzylsulfanyl)-3-butyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID 64BsIdSkoqr
InChI InChI=1S/C22H26N2OS2/c1-2-3-14-24-21(25)19-17-12-8-5-9-13-18(17)27-20(19)23-22(24)26-15-16-10-6-4-7-11-16/h4,6-7,10-11H,2-3,5,8-9,12-15H2,1H3
InChIKey HAYNSWROIUQLJG-UHFFFAOYSA-N
Mol Weight 398.58 g/mol
Molecular Formula C22H26N2OS2
Exact Mass 398.148656 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DEJ0O59dSTv
Name 2-(benzylsulfanyl)-3-butyl-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/C22H26N2OS2/c1-2-3-14-24-21(25)19-17-12-8-5-9-13-18(17)27-20(19)23-22(24)26-15-16-10-6-4-7-11-16/h4,6-7,10-11H,2-3,5,8-9,12-15H2,1H3
InChIKey HAYNSWROIUQLJG-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12156
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: 801234; Labnumber: AE95-777; VK_ID: VK-012161
Temperature 318 °C