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2-Pent-4-ynylmalonic acid diethyl ester
SpectraBase Compound ID AZon21oyLLI
InChI InChI=1S/C12H18O4/c1-4-7-8-9-10(11(13)15-5-2)12(14)16-6-3/h1,10H,5-9H2,2-3H3
InChIKey MXRNTIWLOJHNET-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 Cb60YyFF8u8
Name 2-Pent-4-ynylmalonic acid diethyl ester
Alternate Name(s) 2-Pent-4-ynylpropanedioic acid diethyl ester Diethyl 2-pent-4-ynylpropanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-4-7-8-9-10(11(13)15-5-2)12(14)16-6-3/h1,10H,5-9H2,2-3H3
InChIKey MXRNTIWLOJHNET-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)CCCC#C
SPLASH splash10-01q9-4900000000-67c69f5526205fb173f7
Source of Spectrum J-58-1905-18
Wiley ID 1227358