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Methyl 1-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-1H-benzimidazole-5-carboxylate
SpectraBase Compound ID DDbMb4sKh1w
InChI InChI=1S/C18H13BrN4O2/c1-25-18(24)12-4-7-16-15(8-12)20-10-23(16)17-9-14(21-22-17)11-2-5-13(19)6-3-11/h2-10H,1H3,(H,21,22)
InChIKey PBHGUZZWJKEUPJ-UHFFFAOYSA-N
Mol Weight 397.23 g/mol
Molecular Formula C18H13BrN4O2
Exact Mass 396.022189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wiCpsgNh22
Name Methyl 1-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-1H-benzimidazole-5-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C18H13BrN4O2
InChI InChI=1S/C18H13BrN4O2/c1-25-18(24)12-4-7-16-15(8-12)20-10-23(16)17-9-14(21-22-17)11-2-5-13(19)6-3-11/h2-10H,1H3,(H,21,22)
InChIKey PBHGUZZWJKEUPJ-UHFFFAOYSA-N
Molecular Weight 397.232 g/mol
SMILES [nH]1c(cc(n1)-[n]1cnc2c1ccc(C(=O)OC)c2)-c1ccc(cc1)Br
SPLASH splash10-00kb-0009000000-e8daad5d1151d7825d41
Source of Spectrum F4-40-392-1fa
Wiley ID 1670268