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2-Methyl-3-(n-butyl)penta-3,4-dienoic acid
SpectraBase Compound ID EoGvJsvhZ46
InChI InChI=1S/C10H16O2/c1-4-6-7-9(5-2)8(3)10(11)12/h8H,2,4,6-7H2,1,3H3,(H,11,12)
InChIKey VKHRRRHSSKCLRA-UHFFFAOYSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjNwlPHGcOY
Name 2-Methyl-3-(n-butyl)penta-3,4-dienoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-4-6-7-9(5-2)8(3)10(11)12/h8H,2,4,6-7H2,1,3H3,(H,11,12)
InChIKey VKHRRRHSSKCLRA-UHFFFAOYSA-N
Molecular Weight 168.236 g/mol
SMILES OC(C(C(=C=C)CCCC)C)=O
SPLASH splash10-03di-0900000000-14bed50f40c9ef317eeb
Source of Spectrum KC-61-9898-1
Synonyms 3-butyl-2-methyl-3,4-pentadienoic acid
Wiley ID 1630800