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2,5-Dimethyl-3,4-bis(4-methylphenyl)-1-n-octylpyrrole
SpectraBase Compound ID EAp8tMQ9bqk
InChI InChI=1S/C28H37N/c1-6-7-8-9-10-11-20-29-23(4)27(25-16-12-21(2)13-17-25)28(24(29)5)26-18-14-22(3)15-19-26/h12-19H,6-11,20H2,1-5H3
InChIKey JASVTCXXWARNKB-UHFFFAOYSA-N
Mol Weight 387.6 g/mol
Molecular Formula C28H37N
Exact Mass 387.2926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tsOBcxZqVd
Name 2,5-Dimethyl-3,4-bis(4-methylphenyl)-1-n-octylpyrrole
Alternate Name(s) 2,5-Dimethyl-1-octyl-3,4-di-p-tolyl-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H37N
InChI InChI=1S/C28H37N/c1-6-7-8-9-10-11-20-29-23(4)27(25-16-12-21(2)13-17-25)28(24(29)5)26-18-14-22(3)15-19-26/h12-19H,6-11,20H2,1-5H3
InChIKey JASVTCXXWARNKB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200601e
Molecular Weight 387.611 g/mol
SMILES c1(c(c(c(C)[n]1CCCCCCCC)-c1ccc(C)cc1)-c1ccc(cc1)C)C
SPLASH splash10-0006-9012000000-a9ef190d1ae7932ae140
Source of Spectrum A1-13-2358/SMS17-5
Wiley ID 1753153