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trans-4-oxo-6-phenyl-5-hexenoic acid, methyl ester
SpectraBase Compound ID 5TpdIQx169b
InChI InChI=1S/C13H14O3/c1-16-13(15)10-9-12(14)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+
InChIKey NTMXDQDSCIDWGV-BQYQJAHWSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HpNJXnaLr30
Name Methyl (E)-6-phenyl-5-hexenoate
Alternate Name(s) (E)-4-Oxo-6-phenyl-hex-5-enoic acid methyl ester (E)-4-oxo-6-phenyl-5-hexenoic acid methyl ester Methyl (E)-4-oxo-6-phenylhex-5-enoate Methyl (E)-4-oxo-6-phenyl-hex-5-enoate Methyl (E)-4-oxidanylidene-6-phenyl-hex-5-enoate
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Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-16-13(15)10-9-12(14)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+
InChIKey NTMXDQDSCIDWGV-BQYQJAHWSA-N
Molecular Weight 218.252 g/mol
SMILES c1(\C=C\C(=O)CCC(=O)OC)ccccc1
SPLASH splash10-0f89-0900000000-db8b9fecc175465eee52
Source of Spectrum QE-6-1934-12
Wiley ID 844792