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Methyl 2-benzylidene-4-methylene-5-hexenoate
SpectraBase Compound ID Fchuq6o734b
InChI InChI=1S/C15H16O2/c1-4-12(2)10-14(15(16)17-3)11-13-8-6-5-7-9-13/h4-9,11H,1-2,10H2,3H3/b14-11+
InChIKey HFHMAPXRDUIOAX-SDNWHVSQSA-N
Mol Weight 228.29 g/mol
Molecular Formula C15H16O2
Exact Mass 228.11503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A8pZrvZBIqv
Name Methyl 2-benzylidene-4-methylene-5-hexenoate
Comments Computed using HOSE algorithm
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Exact Mass 228.115029753 u
Formula C15H16O2
InChI InChI=1S/C15H16O2/c1-4-12(2)10-14(15(16)17-3)11-13-8-6-5-7-9-13/h4-9,11H,1-2,10H2,3H3/b14-11+
InChIKey HFHMAPXRDUIOAX-SDNWHVSQSA-N
Molecular Weight 228.291 g/mol
SMILES C(\C(=C\C=1C=CC=CC1)CC(C=C)=C)(=O)OC