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2-(1-(4-chlorobenzyl)-1H-indol-3-yl)acetonitrile
SpectraBase Compound ID B1oQRgckLoN
InChI InChI=1S/C17H13ClN2/c18-15-7-5-13(6-8-15)11-20-12-14(9-10-19)16-3-1-2-4-17(16)20/h1-8,12H,9,11H2
InChIKey LCZUXMCQAFBMIW-UHFFFAOYSA-N
Mol Weight 280.76 g/mol
Molecular Formula C17H13ClN2
Exact Mass 280.076726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYdZ2RoE2PZ
Name 2-(1-(4-chlorobenzyl)-1H-indol-3-yl)acetonitrile
Appearance Yellowish oil
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Formula C17H13ClN2
InChI InChI=1S/C17H13ClN2/c18-15-7-5-13(6-8-15)11-20-12-14(9-10-19)16-3-1-2-4-17(16)20/h1-8,12H,9,11H2
InChIKey LCZUXMCQAFBMIW-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1002/anie.201813631
Molecular Weight 280.758 g/mol
SMILES c1cc2c(cc1)[n](cc2CC#N)Cc1ccc(cc1)Cl
SPLASH splash10-0059-0970000000-babd97760f52e47603e7
Source of Spectrum ACI-58-SM19-37
Wiley ID 1843087