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2-(1-Ethynylhexyl)-malonic acid diethyl ester
SpectraBase Compound ID 4XMZHt6x2Uq
InChI InChI=1S/C15H24O4/c1-5-9-10-11-12(6-2)13(14(16)18-7-3)15(17)19-8-4/h2,12-13H,5,7-11H2,1,3-4H3
InChIKey HYSPVYAUIBWINE-UHFFFAOYSA-N
Mol Weight 268.35 g/mol
Molecular Formula C15H24O4
Exact Mass 268.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tiIzQqmNfH
Name 2-(1-Ethynylhexyl)-malonic acid diethyl ester
Alternate Name(s) Diethyl 2-(oct-1-yn-3-yl)malonate
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Formula C15H24O4
InChI InChI=1S/C15H24O4/c1-5-9-10-11-12(6-2)13(14(16)18-7-3)15(17)19-8-4/h2,12-13H,5,7-11H2,1,3-4H3
InChIKey HYSPVYAUIBWINE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 268.353 g/mol
SMILES C(C(C(=O)OCC)C(CCCCC)C#C)(=O)OCC
SPLASH splash10-02bb-2910000000-c386f02c6f02311f2d96
Source of Spectrum ASC-347-1587/SM6-6_1
Wiley ID 1767783