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4,5-Dioxo-3-methyl-5-( 5'-oxo-2',6',6'-trimethylcyclohex-1'-enyl)pent-2-enal
SpectraBase Compound ID 3PmKPwT7PBY
InChI InChI=1S/C15H18O4/c1-9-5-6-11(17)15(3,4)12(9)14(19)13(18)10(2)7-8-16/h7-8H,5-6H2,1-4H3/b10-7+
InChIKey LHGQCTGZTBPGBR-JXMROGBWSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID XwTUG5kdB8
Name 4,5-Dioxo-3-methyl-5-( 5'-oxo-2',6',6'-trimethylcyclohex-1'-enyl)pent-2-enal
Alternate Name(s) (2E)-3-methyl-4,5-dioxo-5-(2,6,6-trimethyl-5-oxo-1-cyclohexen-1-yl)-2-pentenal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-9-5-6-11(17)15(3,4)12(9)14(19)13(18)10(2)7-8-16/h7-8H,5-6H2,1-4H3/b10-7+
InChIKey LHGQCTGZTBPGBR-JXMROGBWSA-N
Molecular Weight 262.305 g/mol
SMILES C=1(C(C(\C(=C\C=O)C)=O)=O)C(C(=O)CCC1C)(C)C
SPLASH splash10-014r-0900000000-a8cc7f7634823e64b464
Source of Spectrum AC-1993-366-24
Wiley ID 811496