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N-(1H-benzo[d]imidazol-2-yl)-2-phenyl-N'-tosylacetamidine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-(1H-benzo[d]imidazol-2-yl)-2-phenyl-N'-tosylacetamidine
SpectraBase Compound ID EvkVDTFHshL
InChI InChI=1S/C22H20N4O2S/c1-16-11-13-18(14-12-16)29(27,28)26-21(15-17-7-3-2-4-8-17)25-22-23-19-9-5-6-10-20(19)24-22/h2-14H,15H2,1H3,(H2,23,24,25,26)
InChIKey OVARQDNLVUVIIB-UHFFFAOYSA-N
Mol Weight 404.49 g/mol
Molecular Formula C22H20N4O2S
Exact Mass 404.130697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3aa640YQipm
Name N-(1H-Benzo[D]imidazol-2-yl)-2-phenyl-N'-tosylacetamidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.130697072 u
Formula C22H20N4O2S
InChI InChI=1S/C22H20N4O2S/c1-16-11-13-18(14-12-16)29(27,28)26-21(15-17-7-3-2-4-8-17)25-22-23-19-9-5-6-10-20(19)24-22/h2-14H,15H2,1H3,(H2,23,24,25,26)
InChIKey OVARQDNLVUVIIB-UHFFFAOYSA-N
Molecular Weight 404.488 g/mol
SMILES C1=CC=C2N=C(NC2=C1)N\C(CC1=CC=CC=C1)=N/S(=O)(=O)C1=CC=C(C=C1)C