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N-Cyclohexyl-2,5-dimethyl-3,4-bis[(3-(bromomethyl)-2-methylphenyl]pyrrole
SpectraBase Compound ID H7xx1lKBUft
InChI InChI=1S/C28H33Br2N/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,5-7,12-13,16-17H2,1-4H3
InChIKey JCDLJAGIVXNLCR-UHFFFAOYSA-N
Mol Weight 543.4 g/mol
Molecular Formula C28H33Br2N
Exact Mass 541.097976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5eykib96eKg
Name N-Cyclohexyl-2,5-dimethyl-3,4-bis[(3-(bromomethyl)-2-methylphenyl]pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H33Br2N
InChI InChI=1S/C28H33Br2N/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,5-7,12-13,16-17H2,1-4H3
InChIKey JCDLJAGIVXNLCR-UHFFFAOYSA-N
Molecular Weight 543.387 g/mol
SMILES c1(c(c(C)[n](c1C)C1CCCCC1)-c1c(c(CBr)ccc1)C)-c1c(c(CBr)ccc1)C
SPLASH splash10-03dl-0022690000-8863ff259d54e504632b
Source of Spectrum J-62-6063-26
Synonyms 3,4-bis[3-(bromomethyl)-2-methylphenyl]-1-cyclohexyl-2,5-dimethyl-1H-pyrrole
Wiley ID 1404733