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Cyclooctanone, 4,7-diacetyl-2-(1-methylethylidene)-
SpectraBase Compound ID LIc0fcaWDWF
InChI InChI=1S/C15H22O3/c1-9(2)14-7-12(10(3)16)5-6-13(11(4)17)8-15(14)18/h12-13H,5-8H2,1-4H3
InChIKey XWVLOCLJYDHTCD-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ehVpjdkReZ
Name Cyclooctanone, 4,7-diacetyl-2-(1-methylethylidene)-
Alternate Name(s) 4,7-Diacetyl-2-(1-methylethylidene)cyclooctanone 8-(dimethylmethylene)-3,6-di-acetyl-cyclooctanone
CAS Registry Number 115842-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-9(2)14-7-12(10(3)16)5-6-13(11(4)17)8-15(14)18/h12-13H,5-8H2,1-4H3
InChIKey XWVLOCLJYDHTCD-UHFFFAOYSA-N
Molecular Weight 250.338 g/mol
SMILES C1(C(CC(C(=O)C)CCC(C1)C(=O)C)=O)=C(C)C
SPLASH splash10-052f-9360000000-209922d2b65015ad83eb
Source of Spectrum F-43-4431-20
Wiley ID 1253629