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5-pyrimidinecarbonitrile, 2-[[(2-cyanophenyl)methyl]thio]-1,6-dihydro-4-(4-methoxyphenyl)-6-oxo-
SpectraBase Compound ID J9gmDFOYv9l
InChI InChI=1S/C20H14N4O2S/c1-26-16-8-6-13(7-9-16)18-17(11-22)19(25)24-20(23-18)27-12-15-5-3-2-4-14(15)10-21/h2-9H,12H2,1H3,(H,23,24,25)
InChIKey YZPOWLSLVBRRLE-UHFFFAOYSA-N
Mol Weight 374.42 g/mol
Molecular Formula C20H14N4O2S
Exact Mass 374.083747 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3u0AUIesoO8
Name 5-pyrimidinecarbonitrile, 2-[[(2-cyanophenyl)methyl]thio]-1,6-dihydro-4-(4-methoxyphenyl)-6-oxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.083746879 u
Formula C20H14N4O2S
InChI InChI=1S/C20H14N4O2S/c1-26-16-8-6-13(7-9-16)18-17(11-22)19(25)24-20(23-18)27-12-15-5-3-2-4-14(15)10-21/h2-9H,12H2,1H3,(H,23,24,25)
InChIKey YZPOWLSLVBRRLE-UHFFFAOYSA-N
Molecular Weight 374.418 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11238
Solvent DMSO-d6
Source Vendor ID: NMR/10252109; Lab Info: SAD; Lab Number: 2027