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acetamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-[[5-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1,3,4-thiadiazol-2-yl]thio]-
SpectraBase Compound ID DuhxqJ9T5Rt
InChI InChI=1S/C23H18N6O4S2/c1-13-18(21(33)29(27(13)2)14-8-4-3-5-9-14)24-17(30)12-34-23-26-25-22(35-23)28-19(31)15-10-6-7-11-16(15)20(28)32/h3-11H,12H2,1-2H3,(H,24,30)
InChIKey JLNRUUBTJRPHNA-UHFFFAOYSA-N
Mol Weight 506.56 g/mol
Molecular Formula C23H18N6O4S2
Exact Mass 506.083095 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bc55KlP4PIT
Name acetamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-[[5-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1,3,4-thiadiazol-2-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 506.083095428 u
Formula C23H18N6O4S2
InChI InChI=1S/C23H18N6O4S2/c1-13-18(21(33)29(27(13)2)14-8-4-3-5-9-14)24-17(30)12-34-23-26-25-22(35-23)28-19(31)15-10-6-7-11-16(15)20(28)32/h3-11H,12H2,1-2H3,(H,24,30)
InChIKey JLNRUUBTJRPHNA-UHFFFAOYSA-N
Molecular Weight 506.555 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4726
Solvent DMSO-d6
Source Vendor ID: ZI/9047491; Lab Info: LP; Lab Number: LP-0630125