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3-(6-Oxo-cyclohex-1-enylmethyl)-pentane-2,4-dione
SpectraBase Compound ID Blapx95j1H7
InChI InChI=1S/C12H16O3/c1-8(13)11(9(2)14)7-10-5-3-4-6-12(10)15/h5,11H,3-4,6-7H2,1-2H3
InChIKey OBABZLAUSUBVTF-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GC2zOzP5KFg
Name 3-(6-Oxo-cyclohex-1-enylmethyl)-pentane-2,4-dione
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-8(13)11(9(2)14)7-10-5-3-4-6-12(10)15/h5,11H,3-4,6-7H2,1-2H3
InChIKey OBABZLAUSUBVTF-UHFFFAOYSA-N
Instrument Name Hewlett-Packard
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.12.234
Molecular Weight 208.257 g/mol
SMILES C1C(C(=CCC1)CC(C(=O)C)C(=O)C)=O
SPLASH splash10-0aos-6910000000-23a6a5cb1cfdfba86e89
Source of Spectrum BJO-12-SM31-3g
Wiley ID 1851776