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2-(3-Chlorophenyl)-2-(1H-indol-3-yl)acetonitrile
SpectraBase Compound ID DYJpUQVFpBO
InChI InChI=1S/C16H11ClN2/c17-12-5-3-4-11(8-12)14(9-18)15-10-19-16-7-2-1-6-13(15)16/h1-8,10,14,19H
InChIKey HXCXZNREDNJEDY-UHFFFAOYSA-N
Mol Weight 266.73 g/mol
Molecular Formula C16H11ClN2
Exact Mass 266.061076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eaaTLxzjsN
Name 2-(3-Chlorophenyl)-2-(1H-indol-3-yl)acetonitrile
Appearance Brown liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11ClN2
InChI InChI=1S/C16H11ClN2/c17-12-5-3-4-11(8-12)14(9-18)15-10-19-16-7-2-1-6-13(15)16/h1-8,10,14,19H
InChIKey HXCXZNREDNJEDY-UHFFFAOYSA-N
Instrument Name SHIMADZU GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00808
Molecular Weight 266.731 g/mol
Reported Formula C16H11ClN2
SMILES [nH]1c2c(c(c1)C(c1cc(Cl)ccc1)C#N)cccc2
SPLASH splash10-0pxr-2950000000-0fdf1b0471bbd55e29bf
Source of Spectrum JOC-86-8398-10an
Wiley ID 1867803