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Isovalerophenone

View entire compound with spectra: 6 NMR, 2 FTIR, and 6 MS (GC)

Isovalerophenone
SpectraBase Compound ID LeBbV4X2mzt
InChI InChI=1S/C11H14O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey HEOVGVNITGAUKL-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 5i2Fj9dwvpZ
Name 1-Butanone, 3-methyl-1-phenyl-
Alternate Name(s) 1-Phenyl-3-methyl-1-butanone 3-Methyl-1-phenyl-1-butanone 3-Methyl-1-phenyl-butan-1-one Isobutyl phenyl ketone Isovalerophenone AI3-11205 EINECS 209-489-7 NSC 72033
CAS Registry Number 582-62-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O
InChI InChI=1S/C11H14O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey HEOVGVNITGAUKL-UHFFFAOYSA-N
Molecular Weight 162.232 g/mol
SMILES CC(CC(=O)c1ccccc1)C
SPLASH splash10-0a4i-4900000000-876c56ec70b116c34ca0
Source of Spectrum HE-1982-0-0
Wiley ID 1158836