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(E)-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-1H-indol-1-yl)(4-chlorophenyl)methanone
SpectraBase Compound ID C9JRv9Tsulz
InChI InChI=1S/C18H12ClN5O/c19-15-7-5-13(6-8-15)18(25)24-10-14(9-22-23-11-20-21-12-23)16-3-1-2-4-17(16)24/h1-12H/b22-9+
InChIKey HXXRQLAGMACDMA-LSFURLLWSA-N
Mol Weight 349.78 g/mol
Molecular Formula C18H12ClN5O
Exact Mass 349.073038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XylMoFN0zu
Name (E)-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-1H-indol-1-yl)(4-chlorophenyl)methanone
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Formula C18H12ClN5O
InChI InChI=1S/C18H12ClN5O/c19-15-7-5-13(6-8-15)18(25)24-10-14(9-22-23-11-20-21-12-23)16-3-1-2-4-17(16)24/h1-12H/b22-9+
InChIKey HXXRQLAGMACDMA-LSFURLLWSA-N
Literature Reference DOI 10.1016/j.ejmech.2016.08.013
Molecular Weight 349.781 g/mol
SMILES c1ccc2c(c1)c(c[n]2C(c1ccc(cc1)Cl)=O)\C=N\[n]1cnnc1
SPLASH splash10-054o-8597000000-84b0552231930b5cc1d6
Source of Spectrum Phoebe F. Lamie, et al. European Journal of Medicinal Chemistry, 10.1016/j.ejmech.2016.08.013
Wiley ID 1815267