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acetamide, N-[(4-fluorophenyl)methyl]-2-[[5,6,7,8-tetrahydro-6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxopyrimido[4,5-d]pyrimidin-4-yl]thio]-
SpectraBase Compound ID JyUwigpR7n0
InChI InChI=1S/C23H19FN6O5S/c1-28-20-18(22(32)29(2)23(28)33)21(27-19(26-20)14-5-9-16(10-6-14)30(34)35)36-12-17(31)25-11-13-3-7-15(24)8-4-13/h3-10H,11-12H2,1-2H3,(H,25,31)
InChIKey XUJVPBHJEZVJMU-UHFFFAOYSA-N
Mol Weight 510.5 g/mol
Molecular Formula C23H19FN6O5S
Exact Mass 510.112167 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FGJUPKN7cXk
Name acetamide, N-[(4-fluorophenyl)methyl]-2-[[5,6,7,8-tetrahydro-6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxopyrimido[4,5-d]pyrimidin-4-yl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.112167068 u
Formula C23H19FN6O5S
InChI InChI=1S/C23H19FN6O5S/c1-28-20-18(22(32)29(2)23(28)33)21(27-19(26-20)14-5-9-16(10-6-14)30(34)35)36-12-17(31)25-11-13-3-7-15(24)8-4-13/h3-10H,11-12H2,1-2H3,(H,25,31)
InChIKey XUJVPBHJEZVJMU-UHFFFAOYSA-N
Molecular Weight 510.500 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_7112
Solvent DMSO-d6
Source Vendor ID: NMR/13289912