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N-Cyclohexyl-2,5-dimethyl-3,4-bis(3-formyl-2-methylphenyl)pyrrole
SpectraBase Compound ID LJ2YF3Tqxwn
InChI InChI=1S/C28H31NO2/c1-18-22(16-30)10-8-14-25(18)27-20(3)29(24-12-6-5-7-13-24)21(4)28(27)26-15-9-11-23(17-31)19(26)2/h8-11,14-17,24H,5-7,12-13H2,1-4H3
InChIKey NPQSAGZIVUBPDU-UHFFFAOYSA-N
Mol Weight 413.56 g/mol
Molecular Formula C28H31NO2
Exact Mass 413.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SFFtgOxi8v
Name N-Cyclohexyl-2,5-dimethyl-3,4-bis(3-formyl-2-methylphenyl)pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31NO2
InChI InChI=1S/C28H31NO2/c1-18-22(16-30)10-8-14-25(18)27-20(3)29(24-12-6-5-7-13-24)21(4)28(27)26-15-9-11-23(17-31)19(26)2/h8-11,14-17,24H,5-7,12-13H2,1-4H3
InChIKey NPQSAGZIVUBPDU-UHFFFAOYSA-N
Molecular Weight 413.561 g/mol
SMILES c1(c(c(C)[n](c1C)C1CCCCC1)-c1c(c(C=O)ccc1)C)-c1c(c(C=O)ccc1)C
SPLASH splash10-03di-0007900000-8e0eae94acde759c8ada
Source of Spectrum J-62-6063-24
Synonyms 3-[1-cyclohexyl-4-(3-formyl-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-methylbenzaldehyde
Wiley ID 1375102