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2-Mercapto-1-[(N-(triphenylphosphoryl)imino)phenyl]benzimidazole

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2-Mercapto-1-[(N-(triphenylphosphoryl)imino)phenyl]benzimidazole
SpectraBase Compound ID LPYkOTx3CeR
InChI InChI=1S/C31H24N3PS/c36-31-32-27-20-10-12-22-29(27)34(31)30-23-13-11-21-28(30)33-35(24-14-4-1-5-15-24,25-16-6-2-7-17-25)26-18-8-3-9-19-26/h1-23H,(H,32,36)
InChIKey FYEDHMIXDVUSIK-UHFFFAOYSA-N
Mol Weight 501.59 g/mol
Molecular Formula C31H24N3PS
Exact Mass 501.142856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gs6UexpDRMY
Name 2-Mercapto-1-[(N-(triphenylphosphoryl)imino)phenyl]benzimidazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.142855957 u
Formula C31H24N3PS
InChI InChI=1S/C31H24N3PS/c36-31-32-27-20-10-12-22-29(27)34(31)30-23-13-11-21-28(30)33-35(24-14-4-1-5-15-24,25-16-6-2-7-17-25)26-18-8-3-9-19-26/h1-23H,(H,32,36)
InChIKey FYEDHMIXDVUSIK-UHFFFAOYSA-N
Molecular Weight 501.588 g/mol
SMILES C=1(N(C2=C(N=P(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)C=CC=C2)C2=CC=CC=C2N1)S