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acetamide, 2-[[5-cyano-1,6-dihydro-4-(4-methoxyphenyl)-6-oxo-2-pyrimidinyl]thio]-N-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID 3c5b5rGla0q
InChI InChI=1S/C21H15F3N4O4S/c1-31-14-6-2-12(3-7-14)18-16(10-25)19(30)28-20(27-18)33-11-17(29)26-13-4-8-15(9-5-13)32-21(22,23)24/h2-9H,11H2,1H3,(H,26,29)(H,27,28,30)
InChIKey ZLKXSYCTEBJSFG-UHFFFAOYSA-N
Mol Weight 476.43 g/mol
Molecular Formula C21H15F3N4O4S
Exact Mass 476.076611 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HbAhxFFim52
Name acetamide, 2-[[5-cyano-1,6-dihydro-4-(4-methoxyphenyl)-6-oxo-2-pyrimidinyl]thio]-N-[4-(trifluoromethoxy)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 476.076610638 u
Formula C21H15F3N4O4S
InChI InChI=1S/C21H15F3N4O4S/c1-31-14-6-2-12(3-7-14)18-16(10-25)19(30)28-20(27-18)33-11-17(29)26-13-4-8-15(9-5-13)32-21(22,23)24/h2-9H,11H2,1H3,(H,26,29)(H,27,28,30)
InChIKey ZLKXSYCTEBJSFG-UHFFFAOYSA-N
Molecular Weight 476.430 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17773
Solvent DMSO-d6
Source Vendor ID: NMR/11240258; Lab Info: SAD; Lab Number: 1