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4-(4-Methylphenyl)-2-butanone
SpectraBase Compound ID ADkie8ZOP4h
InChI InChI=1S/C11H14O/c1-9-3-6-11(7-4-9)8-5-10(2)12/h3-4,6-7H,5,8H2,1-2H3
InChIKey BUIRDOGDCJQFDA-UHFFFAOYSA-N
Mol Weight 162.23 g/mol
Molecular Formula C11H14O
Exact Mass 162.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30VSfUHnlY
Name 4-(4-Methylphenyl)-2-butanone
Alternate Name(s) 4-(p-tolyl)butan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O
InChI InChI=1S/C11H14O/c1-9-3-6-11(7-4-9)8-5-10(2)12/h3-4,6-7H,5,8H2,1-2H3
InChIKey BUIRDOGDCJQFDA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/aoc.4870
Molecular Weight 162.232 g/mol
SMILES CC(CCc1ccc(cc1)C)=O
SPLASH splash10-06r6-4900000000-73e5c5fc423a9d57bd32
Source of Spectrum AOC-33-SM3-3_4
Wiley ID 1819354