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3,5-Dimethyl-4-(1-pyrenyl)benzonitrile

View entire compound with spectra: 1 MS (GC)

3,5-Dimethyl-4-(1-pyrenyl)benzonitrile
SpectraBase Compound ID 5nJdw2ohmB6
InChI InChI=1S/C25H17N/c1-15-12-17(14-26)13-16(2)23(15)21-10-9-20-7-6-18-4-3-5-19-8-11-22(21)25(20)24(18)19/h3-13H,1-2H3
InChIKey BKEKOHAHYVKROS-UHFFFAOYSA-N
Mol Weight 331.42 g/mol
Molecular Formula C25H17N
Exact Mass 331.1361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8s59kvrlbeV
Name 3,5-Dimethyl-4-(1-pyrenyl)benzonitrile
Alternate Name(s) 3,5-Dimethyl-4-pyren-1-yl-benzenecarbonitrile 3,5-Dimethyl-4-pyren-1-ylbenzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H17N
InChI InChI=1S/C25H17N/c1-15-12-17(14-26)13-16(2)23(15)21-10-9-20-7-6-18-4-3-5-19-8-11-22(21)25(20)24(18)19/h3-13H,1-2H3
InChIKey BKEKOHAHYVKROS-UHFFFAOYSA-N
Molecular Weight 331.418 g/mol
SMILES c1(c2c3c4c(cccc4cc2)ccc3cc1)-c1c(cc(C#N)cc1C)C
SPLASH splash10-001i-0009000000-f3447b5ca80c25586028
Source of Spectrum K1-2001-3825-5
Wiley ID 813478