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2-Acetyl-3-methyl-5-(3-acetylacetonyl)cyclohexanone
SpectraBase Compound ID CoS85iMaTi1
InChI InChI=1S/C14H20O4/c1-8-4-11(6-12(17)5-9(2)15)7-13(18)14(8)10(3)16/h8,11,14H,4-7H2,1-3H3
InChIKey HXMXNYXTLNMTLY-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5k4xILBP6yo
Name 2-Acetyl-3-methyl-5-(3-acetylacetonyl)cyclohexanone
Alternate Name(s) 1-(4-acetyl-3-methyl-5-oxocyclohexyl)-2,4-pentanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-8-4-11(6-12(17)5-9(2)15)7-13(18)14(8)10(3)16/h8,11,14H,4-7H2,1-3H3
InChIKey HXMXNYXTLNMTLY-UHFFFAOYSA-N
Molecular Weight 252.310 g/mol
SMILES C1(C(C(C)CC(C1)CC(CC(=O)C)=O)C(=O)C)=O
SPLASH splash10-0f79-0900000000-5e9a937461e2a11133ba
Source of Spectrum SO-0-994-5
Wiley ID 1541789