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Acetamide, 2-(2-benzimidazolylthio)-N-(2,4-dimethylphenyl)-

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Acetamide, 2-(2-benzimidazolylthio)-N-(2,4-dimethylphenyl)-
SpectraBase Compound ID Ez8MGeas0Fr
InChI InChI=1S/C17H17N3OS/c1-11-7-8-13(12(2)9-11)18-16(21)10-22-17-19-14-5-3-4-6-15(14)20-17/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKey ZJSKRGBOTLTOAM-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C17H17N3OS
Exact Mass 311.109233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Xc5aSFswQT
Name Acetamide, 2-(2-benzimidazolylthio)-N-(2,4-dimethylphenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 311.109233352 u
Formula C17H17N3OS
InChI InChI=1S/C17H17N3OS/c1-11-7-8-13(12(2)9-11)18-16(21)10-22-17-19-14-5-3-4-6-15(14)20-17/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKey ZJSKRGBOTLTOAM-UHFFFAOYSA-N
Molecular Weight 311.403 g/mol
SMILES C1(=NC=2C=CC=CC2N1)SCC(NC1=C(C=C(C)C=C1)C)=O