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3,5-Dimethyl-2-[3-methyl-1-(1-(S)-phenylethyl)-1H-pyrrol-2-yl]phenol isomer
SpectraBase Compound ID Cjf6UQc3tqb
InChI InChI=1S/C21H23NO/c1-14-12-16(3)20(19(23)13-14)21-15(2)10-11-22(21)17(4)18-8-6-5-7-9-18/h5-13,17,23H,1-4H3/t17-/m0/s1
InChIKey YGTORKVEQSWSTG-KRWDZBQOSA-N
Mol Weight 305.42 g/mol
Molecular Formula C21H23NO
Exact Mass 305.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51tNWpmrse
Name 3,5-Dimethyl-2-[3-methyl-1-(1-(S)-phenylethyl)-1H-pyrrol-2-yl]phenol isomer
Alternate Name(s) 3,5-Dimethyl-2-[3-methyl-1-(1-(S)-phenylethyl)-1H-pyrrol-2-yl]phenol 3,5-Dimethyl-2-{3-methyl-1-[(1S)-1-phenylethyl]-1H-pyrrol-2-yl}phenol
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Formula C21H23NO
InChI InChI=1S/C21H23NO/c1-14-12-16(3)20(19(23)13-14)21-15(2)10-11-22(21)17(4)18-8-6-5-7-9-18/h5-13,17,23H,1-4H3/t17-/m0/s1
InChIKey YGTORKVEQSWSTG-KRWDZBQOSA-N
Molecular Weight 305.421 g/mol
SMILES Oc1c(-c2[n](ccc2C)[C@](c2ccccc2)(C)[H])c(cc(C)c1)C
SPLASH splash10-0zfr-4692000000-79dda1968931550edb2b
Source of Spectrum KD-15-142-7
Wiley ID 1636665