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6-Methyl-1-phenyl-1,3,5-heptanetrione
SpectraBase Compound ID DNymX999QU5
InChI InChI=1S/C14H16O3/c1-10(2)13(16)8-12(15)9-14(17)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey BJVJMTDCUCJOPQ-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cixs4J31YXt
Name 6-Methyl-1-phenyl-1,3,5-heptanetrione
Alternate Name(s) 1,3,5-Heptanetrione, 6-methyl-1-phenyl- 6-Methyl-1-phenyl-heptane-1,3,5-trione
CAS Registry Number 54103-38-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-10(2)13(16)8-12(15)9-14(17)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey BJVJMTDCUCJOPQ-UHFFFAOYSA-N
Molecular Weight 232.279 g/mol
SMILES C(=O)(c1ccccc1)CC(=O)CC(=O)C(C)C
SPLASH splash10-0a4r-6900000000-110786a25df2677358cf
Source of Spectrum HE-1982-0-0
Wiley ID 1233917