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acetamide, 2-[[5-[(2,5-dimethylphenyl)sulfonyl]-1,6-dihydro-6-oxo-2-pyrimidinyl]thio]-N-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID 8s72ogPRUNz
InChI InChI=1S/C21H18F3N3O4S2/c1-12-6-7-13(2)16(8-12)33(30,31)17-10-25-20(27-19(17)29)32-11-18(28)26-15-5-3-4-14(9-15)21(22,23)24/h3-10H,11H2,1-2H3,(H,26,28)(H,25,27,29)
InChIKey AUUVENYGQREOQR-UHFFFAOYSA-N
Mol Weight 497.51 g/mol
Molecular Formula C21H18F3N3O4S2
Exact Mass 497.069083 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I6v8jePAYh5
Name acetamide, 2-[[5-[(2,5-dimethylphenyl)sulfonyl]-1,6-dihydro-6-oxo-2-pyrimidinyl]thio]-N-[3-(trifluoromethyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.069082905 u
Formula C21H18F3N3O4S2
InChI InChI=1S/C21H18F3N3O4S2/c1-12-6-7-13(2)16(8-12)33(30,31)17-10-25-20(27-19(17)29)32-11-18(28)26-15-5-3-4-14(9-15)21(22,23)24/h3-10H,11H2,1-2H3,(H,26,28)(H,25,27,29)
InChIKey AUUVENYGQREOQR-UHFFFAOYSA-N
Molecular Weight 497.507 g/mol
NMR Offset 17.9973
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_8061
Solvent DMSO-d6
Source Vendor ID: NMR/13309040