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2-(3-Oxocyclopentyl)-2-prop-2-ynylmalonic acid dimethyl ester
SpectraBase Compound ID K25GKs6ei5b
InChI InChI=1S/C13H16O5/c1-4-7-13(11(15)17-2,12(16)18-3)9-5-6-10(14)8-9/h1,9H,5-8H2,2-3H3
InChIKey MDXOWLZZNPWYGO-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8JddU6MdsV
Name 2-(3-Oxocyclopentyl)-2-prop-2-ynylmalonic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-4-7-13(11(15)17-2,12(16)18-3)9-5-6-10(14)8-9/h1,9H,5-8H2,2-3H3
InChIKey MDXOWLZZNPWYGO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 252.266 g/mol
SMILES C(C(C(=O)OC)(CC#C)C1CC(CC1)=O)(=O)OC
SPLASH splash10-0ab9-5900000000-21f000924b0c58137482
Source of Spectrum ASC-347-1587/SM16-10a
Synonyms Dimethyl 2-(3-oxocyclopentyl)-2-(prop-2-yn-1-yl)malonate 2-(3-oxocyclopentyl)-2-prop-2-ynylpropanedioic acid dimethyl ester Dimethyl 2-(3-oxocyclopentyl)-2-prop-2-ynylpropanedioate Dimethyl 2-(3-oxocyclopentyl)-2-prop-2-ynyl-propanedioate Dimethyl 2-(3-oxidanylidenecyclopentyl)-2-prop-2-ynyl-propanedioate
Wiley ID 1767724