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2-methyl-4-[4-methyl-1-(4-methylphenyl)-3-pyrrolyl]-6-hepten-3-one
SpectraBase Compound ID AW23WnDcdMk
InChI InChI=1S/C20H25NO/c1-6-7-18(20(22)14(2)3)19-13-21(12-16(19)5)17-10-8-15(4)9-11-17/h6,8-14,18H,1,7H2,2-5H3
InChIKey XSHOLIOEPCKBPS-UHFFFAOYSA-N
Mol Weight 295.43 g/mol
Molecular Formula C20H25NO
Exact Mass 295.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHLZTJEAaUJ
Name 2-methyl-4-[4-methyl-1-(4-methylphenyl)-3-pyrrolyl]-6-hepten-3-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO
InChI InChI=1S/C20H25NO/c1-6-7-18(20(22)14(2)3)19-13-21(12-16(19)5)17-10-8-15(4)9-11-17/h6,8-14,18H,1,7H2,2-5H3
InChIKey XSHOLIOEPCKBPS-UHFFFAOYSA-N
Molecular Weight 295.426 g/mol
SMILES c1(c[n](-c2ccc(cc2)C)cc1C)C(C(=O)C(C)C)CC=C
SPLASH splash10-00di-0090000000-f585ef704aa59b36262d
Source of Spectrum K1-2003-780-14
Synonyms 2-methyl-4-[4-methyl-1-(4-methylphenyl)pyrrol-3-yl]hept-6-en-3-one 2-methyl-4-[4-methyl-1-(p-tolyl)pyrrol-3-yl]hept-6-en-3-one
Wiley ID 1520770