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2-Isobutyl-2-prop-2-ynylmalonic acid dimethyl ester
SpectraBase Compound ID 9f6oMEko2fC
InChI InChI=1S/C12H18O4/c1-6-7-12(8-9(2)3,10(13)15-4)11(14)16-5/h1,9H,7-8H2,2-5H3
InChIKey LBRDUTSLIWANIJ-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tRIkXCa3lq
Name 2-Isobutyl-2-prop-2-ynylmalonic acid dimethyl ester
Alternate Name(s) Dimethyl 2-isobutyl-2-(prop-2-yn-1-yl)malonate
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Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-6-7-12(8-9(2)3,10(13)15-4)11(14)16-5/h1,9H,7-8H2,2-5H3
InChIKey LBRDUTSLIWANIJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 226.272 g/mol
SMILES C(C(C(=O)OC)(CC#C)CC(C)C)(=O)OC
SPLASH splash10-0aou-8900000000-4c7be6d523a44e66de0d
Source of Spectrum ASC-347-1587/SM4-1g
Wiley ID 1767748