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2-(1-benzyl-1H-1,2,3,-triazol-4-yl)-5-chloro-1H-pyrrolo[2,3-b]pyridine
SpectraBase Compound ID Ke9yH0wKXLL
InChI InChI=1S/C16H12ClN5/c17-13-6-12-7-14(19-16(12)18-8-13)15-10-22(21-20-15)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,18,19)
InChIKey FIVQMKZRDOFUFL-UHFFFAOYSA-N
Mol Weight 309.76 g/mol
Molecular Formula C16H12ClN5
Exact Mass 309.078123 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ld9mfAZxOkC
Name 2-(1-benzyl-1H-1,2,3,-triazol-4-yl)-5-chloro-1H-pyrrolo[2,3-b]pyridine
Appearance Colorless solid
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Exact Mass 309.078123106 u
Formula C16H12ClN5
InChI InChI=1S/C16H12ClN5/c17-13-6-12-7-14(19-16(12)18-8-13)15-10-22(21-20-15)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,18,19)
InChIKey FIVQMKZRDOFUFL-UHFFFAOYSA-N
Instrument Name Finnigan TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201801632
Molecular Weight 309.760 g/mol
Quality 449
SMILES N1C=2N=CC(=CC2C=C1C=1N=NN(C1)CC1=CC=CC=C1)Cl
SPLASH splash10-001i-1193000000-dee94bfd67b7424d6fcd
Source of Spectrum QE-24-SM18-5 (DOI: 10.1002/chem.201801632)
Wiley ID 1901585