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2-n-Propyl-3-(n-butyl)penta-3,4-dienoic acid
SpectraBase Compound ID N4ymQS2ei2
InChI InChI=1S/C12H20O2/c1-4-7-9-10(6-3)11(8-5-2)12(13)14/h11H,3-5,7-9H2,1-2H3,(H,13,14)
InChIKey JPVISVCYKCEQNF-UHFFFAOYSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tMPQkBtn1v
Name 2-n-Propyl-3-(n-butyl)penta-3,4-dienoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-4-7-9-10(6-3)11(8-5-2)12(13)14/h11H,3-5,7-9H2,1-2H3,(H,13,14)
InChIKey JPVISVCYKCEQNF-UHFFFAOYSA-N
Molecular Weight 196.290 g/mol
SMILES OC(C(C(=C=C)CCCC)CCC)=O
SPLASH splash10-0udi-0900000000-0f1a52cd5eeb17319076
Source of Spectrum KC-61-9898-1
Synonyms 3-butyl-2-propyl-3,4-pentadienoic acid
Wiley ID 1630797