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3,3-Dimethyl-1-phenylbutan-1-one
SpectraBase Compound ID Kxoh6mgTPQK
InChI InChI=1S/C12H16O/c1-12(2,3)9-11(13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey RAGQNMUFPJIWQE-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ilYnu35MaO
Name 3,3-Dimethyl-1-phenylbutan-1-one
CAS Registry Number 31366-07-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-12(2,3)9-11(13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey RAGQNMUFPJIWQE-UHFFFAOYSA-N
Molecular Weight 176.259 g/mol
SMILES C(CC(C)(C)C)(=O)c1ccccc1
SPLASH splash10-0a6r-5900000000-74240c11203b8f6a9466
Source of Spectrum J-41-3074-0
Synonyms 1-Butanone, 3,3-dimethyl-1-phenyl- 3,3-Dimethyl-1-phenyl-1-butanone 3,3-Dimethyl-1-phenyl-butan-1-one 3,3-Dimethylbutyrophenone
Wiley ID 1172625