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6,8-Dodecadienoic acid, 5-oxo-, methyl ester, (E,E)-
SpectraBase Compound ID 51puvrFfobd
InChI InChI=1S/C13H20O3/c1-3-4-5-6-7-9-12(14)10-8-11-13(15)16-2/h5-7,9H,3-4,8,10-11H2,1-2H3/b6-5+,9-7+
InChIKey FTOOKIBGGJSYDB-SBIWHPGTSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsKlBxYJp84
Name 6,8-Dodecadienoic acid, 5-oxo-, methyl ester, (E,E)-
CAS Registry Number 115065-99-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-3-4-5-6-7-9-12(14)10-8-11-13(15)16-2/h5-7,9H,3-4,8,10-11H2,1-2H3/b6-5+,9-7+
InChIKey FTOOKIBGGJSYDB-SBIWHPGTSA-N
Molecular Weight 224.300 g/mol
SMILES C(=O)(OC)CCCC(\C=C\C=C\CCC)=O
SPLASH splash10-0100-6900000000-814ea474e4e7b909b415
Source of Spectrum F-43-4263-14
Synonyms Methyl (6E,8E)-5-oxo-6,8-dodecadienoate Methyl 5-oxo-6(E),8(E)-dodecadienoate Methyl 9-oxo-dodec-5e,7e-dienoate
Wiley ID 1225289