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4-[2-(5-Hydroxypentyl)-5-phenyl-1H-pyrrol-3-yl]benzonitrile
SpectraBase Compound ID GweDUIfxx3Z
InChI InChI=1S/C22H22N2O/c23-16-17-10-12-18(13-11-17)20-15-22(19-7-3-1-4-8-19)24-21(20)9-5-2-6-14-25/h1,3-4,7-8,10-13,15,24-25H,2,5-6,9,14H2
InChIKey XIWIHLIPDLNCTR-UHFFFAOYSA-N
Mol Weight 330.43 g/mol
Molecular Formula C22H22N2O
Exact Mass 330.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBDpbi5XGHK
Name 4-[2-(5-Hydroxypentyl)-5-phenyl-1H-pyrrol-3-yl]benzonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C22H22N2O
InChI InChI=1S/C22H22N2O/c23-16-17-10-12-18(13-11-17)20-15-22(19-7-3-1-4-8-19)24-21(20)9-5-2-6-14-25/h1,3-4,7-8,10-13,15,24-25H,2,5-6,9,14H2
InChIKey XIWIHLIPDLNCTR-UHFFFAOYSA-N
Molecular Weight 330.431 g/mol
SMILES [nH]1c(cc(c1CCCCCO)-c1ccc(C#N)cc1)-c1ccccc1
SPLASH splash10-053r-0049000000-652778997d5627ad448e
Source of Spectrum CV-2004-2404-8
Wiley ID 1611578