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2-[(4-chlorobenzyl)sulfanyl]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 21ScKqPh0Cz
InChI InChI=1S/C21H17ClN2OS2/c1-13-14(2)27-19-18(13)20(25)24(17-6-4-3-5-7-17)21(23-19)26-12-15-8-10-16(22)11-9-15/h3-11H,12H2,1-2H3
InChIKey FMJIJDUIVWDWFX-UHFFFAOYSA-N
Mol Weight 412.95 g/mol
Molecular Formula C21H17ClN2OS2
Exact Mass 412.047083 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jn6OvHCymHU
Name 2-[(4-chlorobenzyl)sulfanyl]-5,6-dimethyl-3-phenylthieno[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/C21H17ClN2OS2/c1-13-14(2)27-19-18(13)20(25)24(17-6-4-3-5-7-17)21(23-19)26-12-15-8-10-16(22)11-9-15/h3-11H,12H2,1-2H3
InChIKey FMJIJDUIVWDWFX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7922
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/1269464; Labnumber: COL6436; UZI_ID: UZI-007924
Temperature 306 °C