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4-[(2-Propyl-1H-benzo[d]imidazole-1-yl)methyl]benzoic acid
SpectraBase Compound ID AgNLLcysf8b
InChI InChI=1S/C18H18N2O2/c1-2-5-17-19-15-6-3-4-7-16(15)20(17)12-13-8-10-14(11-9-13)18(21)22/h3-4,6-11H,2,5,12H2,1H3,(H,21,22)
InChIKey PBNUDKSNPPOLGF-UHFFFAOYSA-N
Mol Weight 294.35 g/mol
Molecular Formula C18H18N2O2
Exact Mass 294.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BiVuLkvnojS
Name 4-[(2-Propyl-1H-benzo[d]imidazole-1-yl)methyl]benzoic acid
Alternate Name(s) 4-((2-propyl-1H-benzo[d]imidazol-1-yl)methyl)benzoic acid 4-[(2-propyl-1-benzimidazolyl)methyl]benzoic acid
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Formula C18H18N2O2
InChI InChI=1S/C18H18N2O2/c1-2-5-17-19-15-6-3-4-7-16(15)20(17)12-13-8-10-14(11-9-13)18(21)22/h3-4,6-11H,2,5,12H2,1H3,(H,21,22)
InChIKey PBNUDKSNPPOLGF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.200800285
Molecular Weight 294.354 g/mol
SMILES OC(c1ccc(cc1)C[n]1c(nc2c1cccc2)CCC)=O
SPLASH splash10-014i-0390000000-d30620a868a1a0c6bff9
Source of Spectrum CMC-4-454-19
Wiley ID 1771580