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(E)-9-(1,3-benzodioxol-5-yl)-2-nonenoic acid
SpectraBase Compound ID KfBJ6sV6igJ
InChI InChI=1S/C16H20O4/c17-16(18)8-6-4-2-1-3-5-7-13-9-10-14-15(11-13)20-12-19-14/h6,8-11H,1-5,7,12H2,(H,17,18)/b8-6+
InChIKey OFOIEPPYEPQGAM-SOFGYWHQSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AirzFvxAVuP
Name (E)-9-(1,3-benzodioxol-5-yl)-2-nonenoic acid
Alternate Name(s) (E)-9-(1,3-benzodioxol-5-yl)non-2-enoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C16H20O4
InChI InChI=1S/C16H20O4/c17-16(18)8-6-4-2-1-3-5-7-13-9-10-14-15(11-13)20-12-19-14/h6,8-11H,1-5,7,12H2,(H,17,18)/b8-6+
InChIKey OFOIEPPYEPQGAM-SOFGYWHQSA-N
Molecular Weight 276.332 g/mol
SMILES OC(\C=C\CCCCCCc1cc2c(OCO2)cc1)=O
SPLASH splash10-000i-0930000000-b694d1dbcffeb501f9a4
Source of Spectrum E1-45-692-0
Wiley ID 1553736