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thieno[2,3-d]pyrimidin-4(3H)-one, 2-[[(3,5-dimethyl-4-isoxazolyl)methyl]thio]-5-(4-fluorophenyl)-3-(2-propenyl)-
SpectraBase Compound ID 4X8WeSiO9B3
InChI InChI=1S/C21H18FN3O2S2/c1-4-9-25-20(26)18-17(14-5-7-15(22)8-6-14)11-28-19(18)23-21(25)29-10-16-12(2)24-27-13(16)3/h4-8,11H,1,9-10H2,2-3H3
InChIKey RIDKIQWFYZUIMD-UHFFFAOYSA-N
Mol Weight 427.51 g/mol
Molecular Formula C21H18FN3O2S2
Exact Mass 427.082447 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2Goi2IgEwHC
Name thieno[2,3-d]pyrimidin-4(3H)-one, 2-[[(3,5-dimethyl-4-isoxazolyl)methyl]thio]-5-(4-fluorophenyl)-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/C21H18FN3O2S2/c1-4-9-25-20(26)18-17(14-5-7-15(22)8-6-14)11-28-19(18)23-21(25)29-10-16-12(2)24-27-13(16)3/h4-8,11H,1,9-10H2,2-3H3
InChIKey RIDKIQWFYZUIMD-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_660
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/11228324