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(E)-7-keto-2-propargyl-hept-3-enoic acid ethyl ester

View entire compound with spectra: 2 MS (GC)

(E)-7-keto-2-propargyl-hept-3-enoic acid ethyl ester
SpectraBase Compound ID 61hkxA54GgC
InChI InChI=1S/C12H16O3/c1-3-8-11(12(14)15-4-2)9-6-5-7-10-13/h1,6,9-11H,4-5,7-8H2,2H3/b9-6+
InChIKey VIYRDRUEXDYGIG-RMKNXTFCSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Q2kUdBwv54
Name NON-1-IN-5-EN-9-ALDEHYDE, 4-CARBOXYETHYL-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-3-8-11(12(14)15-4-2)9-6-5-7-10-13/h1,6,9-11H,4-5,7-8H2,2H3/b9-6+
InChIKey VIYRDRUEXDYGIG-RMKNXTFCSA-N
Instrument Name 311A
Molecular Weight 208.1095
SMILES C#CCC(\C=C\CCC=O)C(OCC)=O
SPLASH splash10-004l-9300000000-9412c5096724143a9cae
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany