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2-(1-Ethynylhexyl)-2-pentylmalonic acid diethyl ester
SpectraBase Compound ID 53kT3Tsddch
InChI InChI=1S/C20H34O4/c1-6-11-13-15-17(8-3)20(16-14-12-7-2,18(21)23-9-4)19(22)24-10-5/h3,17H,6-7,9-16H2,1-2,4-5H3
InChIKey GBWPJKMRMHUAMN-UHFFFAOYSA-N
Mol Weight 338.5 g/mol
Molecular Formula C20H34O4
Exact Mass 338.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYlTno0P7To
Name 2-(1-Ethynylhexyl)-2-pentylmalonic acid diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O4
InChI InChI=1S/C20H34O4/c1-6-11-13-15-17(8-3)20(16-14-12-7-2,18(21)23-9-4)19(22)24-10-5/h3,17H,6-7,9-16H2,1-2,4-5H3
InChIKey GBWPJKMRMHUAMN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 338.488 g/mol
SMILES C(C(C(=O)OCC)(CCCCC)C(CCCCC)C#C)(=O)OCC
SPLASH splash10-0604-5930000000-616bb8f3874bc8152b3c
Source of Spectrum ASC-347-1587/SM8-1p
Synonyms Diethyl 2-(oct-1-yn-3-yl)-2-pentylmalonate
Wiley ID 1767756