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[(2E)-1-{3-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}-4-oxo-4-phenyl-3-(pyridin-1-ium-1-yl)but-2-en-2-yl]sulfanide
SpectraBase Compound ID LeLr1tWi8MH
InChI InChI=1S/C23H18N4O2S2/c1-31-23-26-25-21(29-23)17-11-8-12-18(15-17)24-22(30)19(27-13-6-3-7-14-27)20(28)16-9-4-2-5-10-16/h2-15H,1H3,(H-,24,28,30)
InChIKey WRKGXPASPNCYBW-UHFFFAOYSA-N
Mol Weight 446.54 g/mol
Molecular Formula C23H18N4O2S2
Exact Mass 446.087118 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FbTOphyl6qx
Name [(2E)-1-{3-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}-4-oxo-4-phenyl-3-(pyridin-1-ium-1-yl)but-2-en-2-yl]sulfanide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.087118182 u
Formula C23H18N4O2S2
InChI InChI=1S/C23H18N4O2S2/c1-31-23-26-25-21(29-23)17-11-8-12-18(15-17)24-22(30)19(27-13-6-3-7-14-27)20(28)16-9-4-2-5-10-16/h2-15H,1H3,(H-,24,28,30)
InChIKey WRKGXPASPNCYBW-UHFFFAOYSA-N
Molecular Weight 446.543 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10271
Solvent DMSO-d6
Source Vendor ID: NMR/10241685; Lab Info: RGG; Lab Number: RGG-0400006
Temperature 23.85 °C