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N-Cyclohexyl-2,5-dimethyl-3,4-bis[(3-(hydroxymethyl)-2-methylphenyl]pyrrole
SpectraBase Compound ID m1xKOE6kFv
InChI InChI=1S/C28H35NO2/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/h8-11,14-15,24,30-31H,5-7,12-13,16-17H2,1-4H3
InChIKey BWHOUXYFNQATCQ-UHFFFAOYSA-N
Mol Weight 417.6 g/mol
Molecular Formula C28H35NO2
Exact Mass 417.266779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QbHO6Wyvgu
Name N-Cyclohexyl-2,5-dimethyl-3,4-bis[(3-(hydroxymethyl)-2-methylphenyl]pyrrole
Alternate Name(s) (3-{1-cyclohexyl-4-[3-(hydroxymethyl)-2-methylphenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-methylphenyl)methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35NO2
InChI InChI=1S/C28H35NO2/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/h8-11,14-15,24,30-31H,5-7,12-13,16-17H2,1-4H3
InChIKey BWHOUXYFNQATCQ-UHFFFAOYSA-N
Molecular Weight 417.593 g/mol
SMILES OCc1c(c(-c2c(-c3c(c(CO)ccc3)C)c([n](c2C)C2CCCCC2)C)ccc1)C
SPLASH splash10-014i-0000900000-75d205ca242b382653a2
Source of Spectrum J-62-6063-25
Wiley ID 1376925