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4-(2-Pentyl-5-phenyl-1H-pyrrol-3-yl)benzonitrile

View entire compound with spectra: 1 MS (GC)

4-(2-Pentyl-5-phenyl-1H-pyrrol-3-yl)benzonitrile
SpectraBase Compound ID DDHmLUM2HWz
InChI InChI=1S/C22H22N2/c1-2-3-5-10-21-20(18-13-11-17(16-23)12-14-18)15-22(24-21)19-8-6-4-7-9-19/h4,6-9,11-15,24H,2-3,5,10H2,1H3
InChIKey KLXPJAWCMANEJP-UHFFFAOYSA-N
Mol Weight 314.43 g/mol
Molecular Formula C22H22N2
Exact Mass 314.178299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iLiStdcsCa
Name 4-(2-Pentyl-5-phenyl-1H-pyrrol-3-yl)benzonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2
InChI InChI=1S/C22H22N2/c1-2-3-5-10-21-20(18-13-11-17(16-23)12-14-18)15-22(24-21)19-8-6-4-7-9-19/h4,6-9,11-15,24H,2-3,5,10H2,1H3
InChIKey KLXPJAWCMANEJP-UHFFFAOYSA-N
Molecular Weight 314.432 g/mol
SMILES [nH]1c(cc(c1CCCCC)-c1ccc(C#N)cc1)-c1ccccc1
SPLASH splash10-0a4i-0093000000-e824b5133947b7473335
Source of Spectrum CV-2004-2403-8
Wiley ID 1611579