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2-PENTANONE, 4-METHYL-4-PHENYL-,
SpectraBase Compound ID GHJrK0WKvqc
InChI InChI=1S/C12H16O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChIKey PFDVPCSDZXZDMF-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 HQyWISrE0HO
Name 4-Methyl-4-phenylpentan-2-one
Alternate Name(s) 2-Pentanone, 4-methyl-4-phenyl- 4-Methyl-4-phenyl-2-pentanone 4-Methyl-4-phenyl-pentan-2-one 4-Phenyl-4-methylpentan-2-one Methyl 2-methyl-2-phenylpropyl ketone AI3-24796 EINECS 231-007-9 NSC 200696 NSC 54368
CAS Registry Number 7403-42-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChIKey PFDVPCSDZXZDMF-UHFFFAOYSA-N
Molecular Weight 176.259 g/mol
SMILES C(CC(=O)C)(c1ccccc1)(C)C
SPLASH splash10-014l-7900000000-8584a28d334b7c3cc99c
Source of Spectrum J-60-887-2
Wiley ID 1172827