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Heptane-2,6-dione, 3,5-diacetyl-4-methyl-
SpectraBase Compound ID BZVjxw5dLK5
InChI InChI=1S/C12H18O4/c1-6(11(7(2)13)8(3)14)12(9(4)15)10(5)16/h6,11-12H,1-5H3
InChIKey NEKDTSWEDCUIJB-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3kyHla9Rxg
Name Heptane-2,6-dione, 3,5-diacetyl-4-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-6(11(7(2)13)8(3)14)12(9(4)15)10(5)16/h6,11-12H,1-5H3
InChIKey NEKDTSWEDCUIJB-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES C(C(C(=O)C)C(=O)C)(C(C(=O)C)C(=O)C)C
SPLASH splash10-006x-9800000000-082222dcfbcf1f71fe58
Source of Spectrum AD-0-2532-0
Synonyms 3,5-Diacetyl-4-methyl-2,6-heptanedione 3,5-Diacetyl-4-methyl-heptane-2,6-dione 3,5-Diethanoyl-4-methyl-heptane-2,6-dione
Wiley ID 1433620