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6-benzyl-3-[2-(1-cyclohexen-1-yl)ethyl]-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID BHIHt7rfAxB
InChI InChI=1S/C21H22N2OS2/c24-20-18-14-17(13-16-9-5-2-6-10-16)26-19(18)22-21(25)23(20)12-11-15-7-3-1-4-8-15/h2,5-7,9-10,14H,1,3-4,8,11-13H2,(H,22,25)
InChIKey IBEBGLPLIUYDSF-UHFFFAOYSA-N
Mol Weight 382.54 g/mol
Molecular Formula C21H22N2OS2
Exact Mass 382.117356 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 21N31q500dd
Name 6-benzyl-3-[2-(1-cyclohexen-1-yl)ethyl]-2-sulfanylthieno[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/C21H22N2OS2/c24-20-18-14-17(13-16-9-5-2-6-10-16)26-19(18)22-21(25)23(20)12-11-15-7-3-1-4-8-15/h2,5-7,9-10,14H,1,3-4,8,11-13H2,(H,22,25)
InChIKey IBEBGLPLIUYDSF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7967
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: UZI/1269587; Labnumber: COL6506; UZI_ID: UZI-007969
Temperature 318 °C