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2-Phenethyl-2-prop-2-ynylmalonic acid dimethyl ester
SpectraBase Compound ID B8bLiJ0WWIC
InChI InChI=1S/C16H18O4/c1-4-11-16(14(17)19-2,15(18)20-3)12-10-13-8-6-5-7-9-13/h1,5-9H,10-12H2,2-3H3
InChIKey QSRLKOGCIASQIJ-UHFFFAOYSA-N
Mol Weight 274.32 g/mol
Molecular Formula C16H18O4
Exact Mass 274.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IWlQHfhEosU
Name 2-Phenethyl-2-prop-2-ynylmalonic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O4
InChI InChI=1S/C16H18O4/c1-4-11-16(14(17)19-2,15(18)20-3)12-10-13-8-6-5-7-9-13/h1,5-9H,10-12H2,2-3H3
InChIKey QSRLKOGCIASQIJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 274.316 g/mol
SMILES C(C(C(=O)OC)(CC#C)CCc1ccccc1)(=O)OC
SPLASH splash10-00dl-6930000000-2e8719bd0738dacc3c69
Source of Spectrum ASC-347-1587/SM3-1e
Synonyms Dimethyl 2-phenethyl-2-(prop-2-yn-1-yl)malonate
Wiley ID 1767746