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2-(2-Cyanoethyl)-2-prop-2-ynylmalonic acid diethyl ester
SpectraBase Compound ID KkVG99Gn5Ea
InChI InChI=1S/C13H17NO4/c1-4-8-13(9-7-10-14,11(15)17-5-2)12(16)18-6-3/h1H,5-9H2,2-3H3
InChIKey PVPOOSHETKZFNB-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3YlvliEzaqb
Name 2-(2-Cyanoethyl)-2-prop-2-ynylmalonic acid diethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-4-8-13(9-7-10-14,11(15)17-5-2)12(16)18-6-3/h1H,5-9H2,2-3H3
InChIKey PVPOOSHETKZFNB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 251.282 g/mol
SMILES C(C(C(=O)OCC)(CC#C)CCC#N)(=O)OCC
SPLASH splash10-0mmi-6910000000-6f583d9f0c85d4eb8b13
Source of Spectrum ASC-347-1587/SM3-1f
Synonyms Diethyl 2-(2-cyanoethyl)-2-(prop-2-yn-1-yl)malonate
Wiley ID 1767747