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2-(4-Fluorophenyl)-2-(1H-indol-3-yl)acetonitrile
SpectraBase Compound ID I7TLLUx9Kbp
InChI InChI=1S/C16H11FN2/c17-12-7-5-11(6-8-12)14(9-18)15-10-19-16-4-2-1-3-13(15)16/h1-8,10,14,19H
InChIKey PKRFINVAUNFPNZ-UHFFFAOYSA-N
Mol Weight 250.28 g/mol
Molecular Formula C16H11FN2
Exact Mass 250.090627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AMGBctwWG
Name 2-(4-Fluorophenyl)-2-(1H-indol-3-yl)acetonitrile
Appearance Orange liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11FN2
InChI InChI=1S/C16H11FN2/c17-12-7-5-11(6-8-12)14(9-18)15-10-19-16-4-2-1-3-13(15)16/h1-8,10,14,19H
InChIKey PKRFINVAUNFPNZ-UHFFFAOYSA-N
Instrument Name SHIMADZU GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00808
Molecular Weight 250.276 g/mol
Reported Formula C16H11FN2
SMILES [nH]1c2c(c(c1)C(c1ccc(F)cc1)C#N)cccc2
SPLASH splash10-0zi0-3890000000-9f068e887386252bd16d
Source of Spectrum JOC-86-8397-10af
Wiley ID 1867799