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2-Cyclopentyl-2-prop-2-ynylmalonic acid dimethyl ester
SpectraBase Compound ID LIKEcgQHYMh
InChI InChI=1S/C13H18O4/c1-4-9-13(11(14)16-2,12(15)17-3)10-7-5-6-8-10/h1,10H,5-9H2,2-3H3
InChIKey XNCXWTMFISOQIC-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8eMmI3Q4Ll
Name 2-Cyclopentyl-2-prop-2-ynylmalonic acid dimethyl ester
Alternate Name(s) Dimethyl 2-cyclopentyl-2-(prop-2-yn-1-yl)malonate
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Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-4-9-13(11(14)16-2,12(15)17-3)10-7-5-6-8-10/h1,10H,5-9H2,2-3H3
InChIKey XNCXWTMFISOQIC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 238.283 g/mol
SMILES C(C(C(=O)OC)(CC#C)C1CCCC1)(=O)OC
SPLASH splash10-00y3-6910000000-0039f6afdcb292da1d79
Source of Spectrum ASC-347-1587/SM17-12a
Wiley ID 1767729