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N-Cyclohexyl-2,5-dimethyl-3,4-bis(3-cyano-2-methylphenyl)pyrrole
SpectraBase Compound ID K76sHlMy4pv
InChI InChI=1S/C28H29N3/c1-18-22(16-29)10-8-14-25(18)27-20(3)31(24-12-6-5-7-13-24)21(4)28(27)26-15-9-11-23(17-30)19(26)2/h8-11,14-15,24H,5-7,12-13H2,1-4H3
InChIKey ISWSEMNROKOKST-UHFFFAOYSA-N
Mol Weight 407.56 g/mol
Molecular Formula C28H29N3
Exact Mass 407.236148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8g9RqIkhnjP
Name N-Cyclohexyl-2,5-dimethyl-3,4-bis(3-cyano-2-methylphenyl)pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29N3
InChI InChI=1S/C28H29N3/c1-18-22(16-29)10-8-14-25(18)27-20(3)31(24-12-6-5-7-13-24)21(4)28(27)26-15-9-11-23(17-30)19(26)2/h8-11,14-15,24H,5-7,12-13H2,1-4H3
InChIKey ISWSEMNROKOKST-UHFFFAOYSA-N
Molecular Weight 407.561 g/mol
SMILES c1(c(c(C)[n](c1C)C1CCCCC1)-c1c(c(C#N)ccc1)C)-c1c(c(C#N)ccc1)C
SPLASH splash10-0a6r-0006900000-11bda7be490b168dd5f2
Source of Spectrum J-62-6063-23
Synonyms 3-[4-(3-cyano-2-methylphenyl)-1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl]-2-methylbenzonitrile 3-[4-(3-cyano-2-methylphenyl)-1-cyclohexyl-2,5-dimethyl-3-pyrrolyl]-2-methylbenzonitrile 3-[4-(3-cyano-2-methylphenyl)-1-cyclohexyl-2,5-dimethylpyrrol-3-yl]-2-methylbenzonitrile 3-[4-(3-cyano-2-methyl-phenyl)-1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl]-2-methyl-benzenecarbonitrile
Wiley ID 1372669