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2-(1-Ethynylhexyl)-2-isobutylmalonic acid diethyl ester
SpectraBase Compound ID BOyC1OEE7ex
InChI InChI=1S/C19H32O4/c1-7-11-12-13-16(8-2)19(14-15(5)6,17(20)22-9-3)18(21)23-10-4/h2,15-16H,7,9-14H2,1,3-6H3
InChIKey UBYAALKKLWAZDX-UHFFFAOYSA-N
Mol Weight 324.5 g/mol
Molecular Formula C19H32O4
Exact Mass 324.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6juXToqGdTt
Name 2-(1-Ethynylhexyl)-2-isobutylmalonic acid diethyl ester
Alternate Name(s) Diethyl 2-isobutyl-2-(oct-1-yn-3-yl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H32O4
InChI InChI=1S/C19H32O4/c1-7-11-12-13-16(8-2)19(14-15(5)6,17(20)22-9-3)18(21)23-10-4/h2,15-16H,7,9-14H2,1,3-6H3
InChIKey UBYAALKKLWAZDX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 324.461 g/mol
SMILES C(C(C(=O)OCC)(CC(C)C)C(CCCCC)C#C)(=O)OCC
SPLASH splash10-0fk9-3930000000-b3350cf10b997aafa0a2
Source of Spectrum ASC-347-1587/SM8-1o
Wiley ID 1767755