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1-[phenyl(phenylsulfanyl)acetyl]-1H-benzimidazole
SpectraBase Compound ID Jq07UANQkLo
InChI InChI=1S/C21H16N2OS/c24-21(23-15-22-18-13-7-8-14-19(18)23)20(16-9-3-1-4-10-16)25-17-11-5-2-6-12-17/h1-15,20H
InChIKey YXWKBHVLCUEKOU-UHFFFAOYSA-N
Mol Weight 344.43 g/mol
Molecular Formula C21H16N2OS
Exact Mass 344.098334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EQn0kEw5PGy
Name 1-[Phenyl(phenylsulfanyl)acetyl]-1H-benzimidazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.098334316 u
Formula C21H16N2OS
InChI InChI=1S/C21H16N2OS/c24-21(23-15-22-18-13-7-8-14-19(18)23)20(16-9-3-1-4-10-16)25-17-11-5-2-6-12-17/h1-15,20H
InChIKey YXWKBHVLCUEKOU-UHFFFAOYSA-N
Molecular Weight 344.432 g/mol
SMILES C1=CC=C(C(C(N2C=NC3=C2C=CC=C3)=O)SC2=CC=CC=C2)C=C1