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benzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-5,6,7,8-tetrahydro-3-(2-propenyl)-
SpectraBase Compound ID FsPJ6keJ1J6
InChI InChI=1S/C22H20N2O4S2/c1-2-9-24-21(26)19-14-5-3-4-6-18(14)30-20(19)23-22(24)29-11-15(25)13-7-8-16-17(10-13)28-12-27-16/h2,7-8,10H,1,3-6,9,11-12H2
InChIKey PJUCMYGQRMMWQC-UHFFFAOYSA-N
Mol Weight 440.53 g/mol
Molecular Formula C22H20N2O4S2
Exact Mass 440.086449 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9DB0Ir0kFG3
Name benzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-5,6,7,8-tetrahydro-3-(2-propenyl)-
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/C22H20N2O4S2/c1-2-9-24-21(26)19-14-5-3-4-6-18(14)30-20(19)23-22(24)29-11-15(25)13-7-8-16-17(10-13)28-12-27-16/h2,7-8,10H,1,3-6,9,11-12H2
InChIKey PJUCMYGQRMMWQC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_230
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/11219920