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2-(4-Fluoro-2-hexyl-1H-indol-3-yl)benzonitrile

View entire compound with spectra: 1 MS (GC)

2-(4-Fluoro-2-hexyl-1H-indol-3-yl)benzonitrile
SpectraBase Compound ID 9UOXBetWdIJ
InChI InChI=1S/C21H21FN2/c1-2-3-4-5-12-18-20(16-10-7-6-9-15(16)14-23)21-17(22)11-8-13-19(21)24-18/h6-11,13,24H,2-5,12H2,1H3
InChIKey XXGHPCGUALCLNI-UHFFFAOYSA-N
Mol Weight 320.41 g/mol
Molecular Formula C21H21FN2
Exact Mass 320.168877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1FtqaY4alv
Name 2-(4-Fluoro-2-hexyl-1H-indol-3-yl)benzonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21FN2
InChI InChI=1S/C21H21FN2/c1-2-3-4-5-12-18-20(16-10-7-6-9-15(16)14-23)21-17(22)11-8-13-19(21)24-18/h6-11,13,24H,2-5,12H2,1H3
InChIKey XXGHPCGUALCLNI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo200406f
Molecular Weight 320.411 g/mol
SMILES [nH]1c(c(c2c(cccc12)F)-c1c(cccc1)C#N)CCCCCC
SPLASH splash10-006t-1095000000-af43d7aa5f8f92caa02c
Source of Spectrum J-76-3430-21h
Wiley ID 1744772