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1-[4-benzyl-1-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]-3-methylbutan-2-one
SpectraBase Compound ID BCITJ7aOOQW
InChI InChI=1S/C23H27NO/c1-17(2)23(25)14-21-16-24(22-11-9-18(3)10-12-22)15-20(21)13-19-7-5-4-6-8-19/h4-12,17H,13-16H2,1-3H3
InChIKey MUVCVSKXWMCPEV-UHFFFAOYSA-N
Mol Weight 333.48 g/mol
Molecular Formula C23H27NO
Exact Mass 333.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELBNAvPDBa
Name 1-[4-benzyl-1-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]-3-methylbutan-2-one
Alternate Name(s) 1-[4-benzyl-1-(p-tolyl)-2,5-dihydropyrrol-3-yl]-3-methyl-butan-2-one 1-[4-benzyl-1-(p-tolyl)-3-pyrrolin-3-yl]-3-methyl-butan-2-one 3-methyl-1-[1-(4-methylphenyl)-4-(phenylmethyl)-2,5-dihydropyrrol-3-yl]-2-butanone 3-methyl-1-[1-(4-methylphenyl)-4-(phenylmethyl)-2,5-dihydropyrrol-3-yl]butan-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C23H27NO
InChI InChI=1S/C23H27NO/c1-17(2)23(25)14-21-16-24(22-11-9-18(3)10-12-22)15-20(21)13-19-7-5-4-6-8-19/h4-12,17H,13-16H2,1-3H3
InChIKey MUVCVSKXWMCPEV-UHFFFAOYSA-N
Molecular Weight 333.475 g/mol
SMILES C1N(CC(=C1CC(=O)C(C)C)Cc1ccccc1)c1ccc(cc1)C
SPLASH splash10-03di-0090000000-44265f6b3a26da5b19f6
Source of Spectrum K1-2003-781-20
Wiley ID 1520768