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4'-methylbutyrophenone

View entire compound with spectra: 2 NMR, 2 FTIR, 1 UV-Vis, and 2 MS (GC)

4'-methylbutyrophenone
SpectraBase Compound ID G1OIMPUKE76
InChI InChI=1S/C11H14O/c1-3-4-11(12)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3
InChIKey CIYAESDXUTVTAL-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 3WP20QREogM
Name 1-(4-Methylphenyl)-1-butanone
Alternate Name(s) 1-p-Tolylbutan-1-one 1-(4-Methylphenyl)butan-1-one 1-(p-tolyl)butan-1-one 1-(4-Tolyl)-1-butanone 4'-Methylbutyrophenone 1-Butanone, 1-(4-methylphenyl)- 4-Methylbutyrophenone Butyrophenone, 4'-methyl- p-Methyl butyrophenone EINECS 223-996-0
CAS Registry Number 4160-52-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O
InChI InChI=1S/C11H14O/c1-3-4-11(12)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3
InChIKey CIYAESDXUTVTAL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200404z
Molecular Weight 162.232 g/mol
SMILES c1cc(C(CCC)=O)ccc1C
SPLASH splash10-014i-3900000000-0651b76f95bd177dd69b
Source of Spectrum A1-13-2184/SMS8-10
Wiley ID 1753125