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3-pyridinecarboxamide, 5-cyano-6-[[2-[(2,4-dimethylphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-N,4-diphenyl-
SpectraBase Compound ID FIZl9CXu1dp
InChI InChI=1S/C30H28N4O2S/c1-19-14-15-25(20(2)16-19)34-26(35)18-37-30-24(17-31)28(22-10-6-4-7-11-22)27(21(3)32-30)29(36)33-23-12-8-5-9-13-23/h4-16,28,32H,18H2,1-3H3,(H,33,36)(H,34,35)
InChIKey VPLIYTXVFBTUGV-UHFFFAOYSA-N
Mol Weight 508.64 g/mol
Molecular Formula C30H28N4O2S
Exact Mass 508.193297 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 36XY1lDOsVe
Name 3-pyridinecarboxamide, 5-cyano-6-[[2-[(2,4-dimethylphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-N,4-diphenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.193297330 u
Formula C30H28N4O2S
InChI InChI=1S/C30H28N4O2S/c1-19-14-15-25(20(2)16-19)34-26(35)18-37-30-24(17-31)28(22-10-6-4-7-11-22)27(21(3)32-30)29(36)33-23-12-8-5-9-13-23/h4-16,28,32H,18H2,1-3H3,(H,33,36)(H,34,35)
InChIKey VPLIYTXVFBTUGV-UHFFFAOYSA-N
Molecular Weight 508.640 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10586
Solvent DMSO-d6
Source Vendor ID: NMR/10251912; Lab Info: KR; Lab Number: KR-KV00392