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3-Methyl-4,7-dioxo-oct-2-enal
SpectraBase Compound ID JVCldX5F6qO
InChI InChI=1S/C9H12O3/c1-7(5-6-10)9(12)4-3-8(2)11/h5-6H,3-4H2,1-2H3/b7-5+
InChIKey XJTKTBDQAKJMQG-FNORWQNLSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dp90hY7YDEa
Name 3-Methyl-4,7-dioxo-oct-2-enal
Alternate Name(s) (2E)-3-Methyl-4,7-dioxo-2-octenal (E)-3-methyl-4,7-dioxo-2-octenal (E)-3-methyl-4,7-dioxooct-2-enal (E)-3-methyl-4,7-bis(oxidanylidene)oct-2-enal (E)-3-methyl-4,7-dioxo-oct-2-enal (E)-4,7-diketo-3-methyl-oct-2-enal
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Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-7(5-6-10)9(12)4-3-8(2)11/h5-6H,3-4H2,1-2H3/b7-5+
InChIKey XJTKTBDQAKJMQG-FNORWQNLSA-N
Molecular Weight 168.192 g/mol
SMILES C(\C(=C\C=O)C)(=O)CCC(=O)C
SPLASH splash10-0006-9400000000-91e3b522533b1451372e
Wiley ID 1489327