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5-Methyl-1-phenyl-2,4-hexanedione
SpectraBase Compound ID EEmUQQz2pba
InChI InChI=1S/C13H16O2/c1-10(2)13(15)9-12(14)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey PLBFWIZRMGNKHH-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iq47H4jrytX
Name 5-Methyl-1-phenyl-2,4-hexanedione
Alternate Name(s) 2,4-Hexanedione, 5-methyl-1-phenyl- 5-Methyl-1-phenyl-hexane-2,4-dione
CAS Registry Number 32588-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-10(2)13(15)9-12(14)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey PLBFWIZRMGNKHH-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES c1cccc(CC(CC(C(C)C)=O)=O)c1
SPLASH splash10-03di-8900000000-2866848fef716570a256
Wiley ID 1491994