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(E)-12-ketotridec-9-enoic acid

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(E)-12-ketotridec-9-enoic acid
SpectraBase Compound ID 2bCqyNk5XZi
InChI InChI=1S/C13H22O3/c1-12(14)10-8-6-4-2-3-5-7-9-11-13(15)16/h6,8H,2-5,7,9-11H2,1H3,(H,15,16)/b8-6+
InChIKey NFJIUEYOWSGWHH-SOFGYWHQSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfyrAaxXG5e
Name (E)-12-ketotridec-9-enoic acid
Alternate Name(s) (E)-12-oxidanylidenetridec-9-enoic acid (E)-12-oxo-9-tridecenoic acid (E)-12-oxotridec-9-enoic acid
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Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-12(14)10-8-6-4-2-3-5-7-9-11-13(15)16/h6,8H,2-5,7,9-11H2,1H3,(H,15,16)/b8-6+
InChIKey NFJIUEYOWSGWHH-SOFGYWHQSA-N
Molecular Weight 226.316 g/mol
SMILES OC(=O)CCCCCCC\C=C\CC(=O)C
SPLASH splash10-0007-9000000000-2caddc7ac734dbf26d88
Source of Spectrum U-1993-648-3
Wiley ID 764960