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(E)-7-keto-2-propargyl-hept-3-enoic acid ethyl ester
SpectraBase Compound ID 61hkxA54GgC
InChI InChI=1S/C12H16O3/c1-3-8-11(12(14)15-4-2)9-6-5-7-10-13/h1,6,9-11H,4-5,7-8H2,2H3/b9-6+
InChIKey VIYRDRUEXDYGIG-RMKNXTFCSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hf2dK7QLTZO
Name (E)-7-keto-2-propargyl-hept-3-enoic acid ethyl ester
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Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-3-8-11(12(14)15-4-2)9-6-5-7-10-13/h1,6,9-11H,4-5,7-8H2,2H3/b9-6+
InChIKey VIYRDRUEXDYGIG-RMKNXTFCSA-N
Molecular Weight 208.257 g/mol
SMILES C(=O)CC\C=C\C(CC#C)C(=O)OCC
SPLASH splash10-004l-9300000000-ef28ead37f969e8c9360
Synonyms (E)-7-oxo-2-prop-2-ynyl-3-heptenoic acid ethyl ester Ethyl (3E)-7-oxo-2-(2-propynyl)-3-heptenoate Ethyl (E)-7-oxidanylidene-2-prop-2-ynyl-hept-3-enoate Ethyl (E)-7-oxo-2-prop-2-ynyl-hept-3-enoate Non-1-yn-5-en-9-aldehyde, 4-carbethoxy- Non-1-yn-5-en-9-aldehyde, 4-ethoxycarbonyl-
Wiley ID 1502451