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N,N-Diethyl-3-(N,N'-diphenylamidinothio)-3-phenylpyruvamide

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N,N-Diethyl-3-(N,N'-diphenylamidinothio)-3-phenylpyruvamide
SpectraBase Compound ID BpEYu31pMxG
InChI InChI=1S/C26H27N3O2S/c1-3-29(4-2)25(31)23(30)24(20-14-8-5-9-15-20)32-26(27-21-16-10-6-11-17-21)28-22-18-12-7-13-19-22/h5-19,24H,3-4H2,1-2H3,(H,27,28)
InChIKey KVAHJXYMBKRQHL-UHFFFAOYSA-N
Mol Weight 445.58 g/mol
Molecular Formula C26H27N3O2S
Exact Mass 445.182398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CC12qzYMCN8
Name N,N-Diethyl-3-(N,N'-diphenylamidinothio)-3-phenylpyruvamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.182398293 u
Formula C26H27N3O2S
InChI InChI=1S/C26H27N3O2S/c1-3-29(4-2)25(31)23(30)24(20-14-8-5-9-15-20)32-26(27-21-16-10-6-11-17-21)28-22-18-12-7-13-19-22/h5-19,24H,3-4H2,1-2H3,(H,27,28)
InChIKey KVAHJXYMBKRQHL-UHFFFAOYSA-N
Molecular Weight 445.581 g/mol
SMILES C1(N\C(=N/C2=CC=CC=C2)SC(C2=CC=CC=C2)C(C(N(CC)CC)=O)=O)=CC=CC=C1