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5-Methyl-1-phenyl-1,3-hexanedione
SpectraBase Compound ID 6fIHMks02T
InChI InChI=1S/C13H16O2/c1-10(2)8-12(14)9-13(15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey XVTWRQCEQFDSBK-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 6YoZl7Mxxwr
Name 5-Methyl-1-phenyl-1,3-hexanedione
Alternate Name(s) 1,3-Hexanedione, 5-methyl-1-phenyl- 5-Methyl-1-phenyl-hexane-1,3-dione EINECS 237-661-1
CAS Registry Number 13893-97-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-10(2)8-12(14)9-13(15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey XVTWRQCEQFDSBK-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES c1cc(ccc1)C(=O)CC(=O)CC(C)C
SPLASH splash10-05mk-7900000000-f63fd43cefdee8bd4a6d
Wiley ID 1492323