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4-Oxoisophorone
SpectraBase Compound ID A5imleiP0sC
InChI InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3
InChIKey AYJXHIDNNLJQDT-UHFFFAOYSA-N
Mol Weight 152.19 g/mol
Molecular Formula C9H12O2
Exact Mass 152.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnQsSYTQxro
Name 2,6,6-trimethylcyclohex-2-en-1,4-dione
Alternate Name(s) 2,6,6-trimethylcyclohex-2-ene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O2
InChI InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3
InChIKey AYJXHIDNNLJQDT-UHFFFAOYSA-N
Molecular Weight 152.193 g/mol
SMILES C1(C(=CC(CC1(C)C)=O)C)=O
SPLASH splash10-014m-9200000000-c5f69cc330c19906eb58
Source of Spectrum H-57-1302-1302_31
Wiley ID 1797193