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benzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-butyl-2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydro-
SpectraBase Compound ID 7Br9UjJHFdM
InChI InChI=1S/C22H23ClN2O2S2/c1-2-3-12-25-21(27)19-16-6-4-5-7-18(16)29-20(19)24-22(25)28-13-17(26)14-8-10-15(23)11-9-14/h8-11H,2-7,12-13H2,1H3
InChIKey DEFGMGKIJWZUNH-UHFFFAOYSA-N
Mol Weight 447.01 g/mol
Molecular Formula C22H23ClN2O2S2
Exact Mass 446.088948 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4B9kwnxsXEB
Name benzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-butyl-2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydro-
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/C22H23ClN2O2S2/c1-2-3-12-25-21(27)19-16-6-4-5-7-18(16)29-20(19)24-22(25)28-13-17(26)14-8-10-15(23)11-9-14/h8-11H,2-7,12-13H2,1H3
InChIKey DEFGMGKIJWZUNH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_80
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: NMR/11249688