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2,6-Heptanedione, 4-methyl-4-(2-oxopropyl)-
SpectraBase Compound ID 7qncCeTD0vm
InChI InChI=1S/C11H18O3/c1-8(12)5-11(4,6-9(2)13)7-10(3)14/h5-7H2,1-4H3
InChIKey BYHJUCXKXKUEID-UHFFFAOYSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkRSZLFkwmu
Name 2,6-Heptanedione, 4-methyl-4-(2-oxopropyl)-
Alternate Name(s) 4-Methyl-4-(2-oxopropyl)-2,6-heptandione 4-Methyl-4-(2-oxopropyl)-2,6-heptanedione
CAS Registry Number 85963-52-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-8(12)5-11(4,6-9(2)13)7-10(3)14/h5-7H2,1-4H3
InChIKey BYHJUCXKXKUEID-UHFFFAOYSA-N
Molecular Weight 198.262 g/mol
SMILES C(CC(=O)C)(CC(=O)C)(CC(=O)C)C
SPLASH splash10-0006-9200000000-f7ecbfca6f1b0b098dad
Source of Spectrum K-116-1357-0
Wiley ID 1195466