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1,3-diethyl-2-thioxo-5-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)dihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 5Zkwyz1nl80
InChI InChI=1S/C20H17F3N2O3S/c1-3-24-17(26)15(18(27)25(4-2)19(24)29)11-14-8-9-16(28-14)12-6-5-7-13(10-12)20(21,22)23/h5-11H,3-4H2,1-2H3
InChIKey CHJFNZYFWWVNQE-UHFFFAOYSA-N
Mol Weight 422.42 g/mol
Molecular Formula C20H17F3N2O3S
Exact Mass 422.091198 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kl5h17thQLW
Name 4,6(1H,5H)-pyrimidinedione, 1,3-diethyldihydro-2-thioxo-5-[[5-[3-(trifluoromethyl)phenyl]-2-furanyl]methylene]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.091198075 u
Formula C20H17F3N2O3S
InChI InChI=1S/C20H17F3N2O3S/c1-3-24-17(26)15(18(27)25(4-2)19(24)29)11-14-8-9-16(28-14)12-6-5-7-13(10-12)20(21,22)23/h5-11H,3-4H2,1-2H3
InChIKey CHJFNZYFWWVNQE-UHFFFAOYSA-N
Molecular Weight 422.422 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7337
Solvent DMSO-d6
Source Vendor ID: NMR/10222992; Lab Info: SAD; Lab Number: SAD-DAS1641
Temperature 29.85 °C