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1-Ethanone, 1-[4-(1H-1,3-benzimidazol-2-ylthio)-3-nitrophenyl]-
SpectraBase Compound ID 69gdJOFw1Yt
InChI InChI=1S/C15H11N3O3S/c1-9(19)10-6-7-14(13(8-10)18(20)21)22-15-16-11-4-2-3-5-12(11)17-15/h2-8H,1H3,(H,16,17)
InChIKey SLPIJEOCCRQURC-UHFFFAOYSA-N
Mol Weight 313.33 g/mol
Molecular Formula C15H11N3O3S
Exact Mass 313.052112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSfCQzPHukU
Name 1-Ethanone, 1-[4-(1H-1,3-benzimidazol-2-ylthio)-3-nitrophenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.052112397 u
Formula C15H11N3O3S
InChI InChI=1S/C15H11N3O3S/c1-9(19)10-6-7-14(13(8-10)18(20)21)22-15-16-11-4-2-3-5-12(11)17-15/h2-8H,1H3,(H,16,17)
InChIKey SLPIJEOCCRQURC-UHFFFAOYSA-N
Molecular Weight 313.331 g/mol
SMILES CC(=O)C1=CC=C(C(=C1)N(=O)=O)SC1=NC=2C=CC=CC2N1