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N-Cyclohexyl-2,5-Dimethyl-3,4-bis(3-chloro-2-methylphenyl)pyrrole
SpectraBase Compound ID myZiAgfZhi
InChI InChI=1S/C26H29Cl2N/c1-16-21(12-8-14-23(16)27)25-18(3)29(20-10-6-5-7-11-20)19(4)26(25)22-13-9-15-24(28)17(22)2/h8-9,12-15,20H,5-7,10-11H2,1-4H3
InChIKey NBUWFTKGQZOKFL-UHFFFAOYSA-N
Mol Weight 426.43 g/mol
Molecular Formula C26H29Cl2N
Exact Mass 425.167705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KS2zHsZ9DzX
Name N-Cyclohexyl-2,5-Dimethyl-3,4-bis(3-chloro-2-methylphenyl)pyrrole
Alternate Name(s) 3,4-bis(3-chloro-2-methylphenyl)-1-cyclohexyl-2,5-dimethyl-1H-pyrrole 3,4-bis(3-chloro-2-methylphenyl)-1-cyclohexyl-2,5-dimethylpyrrole 3,4-bis(3-chloranyl-2-methyl-phenyl)-1-cyclohexyl-2,5-dimethyl-pyrrole
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Formula C26H29Cl2N
InChI InChI=1S/C26H29Cl2N/c1-16-21(12-8-14-23(16)27)25-18(3)29(20-10-6-5-7-11-20)19(4)26(25)22-13-9-15-24(28)17(22)2/h8-9,12-15,20H,5-7,10-11H2,1-4H3
InChIKey NBUWFTKGQZOKFL-UHFFFAOYSA-N
Molecular Weight 426.431 g/mol
SMILES c1(c(c(C)[n](c1C)C1CCCCC1)-c1c(c(Cl)ccc1)C)-c1c(c(Cl)ccc1)C
SPLASH splash10-004i-0002900000-15554f8593ea668af92c
Source of Spectrum J-62-6063-22
Wiley ID 1379688