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3-[2-(Ethoxycarbonyl)ethynyl]-2-cyclohexen-1-one
SpectraBase Compound ID 2I1lPvFnDL6
InChI InChI=1S/C11H12O3/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h8H,2-5H2,1H3
InChIKey CIUSRAYIHUJRRM-UHFFFAOYSA-N
Mol Weight 192.21 g/mol
Molecular Formula C11H12O3
Exact Mass 192.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cavKxx51M
Name 3-[2-(Ethoxycarbonyl)ethynyl]-2-cyclohexen-1-one
Alternate Name(s) Ethyl 3-(3-oxocyclohex-1-en-1-yl)propiolate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O3
InChI InChI=1S/C11H12O3/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h8H,2-5H2,1H3
InChIKey CIUSRAYIHUJRRM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201302058
Molecular Weight 192.214 g/mol
SMILES C1CCC(C#CC(OCC)=O)=CC1=O
SPLASH splash10-01vp-2900000000-1366a09c515effc0ff39
Source of Spectrum ACI-52-SMS13-4j
Wiley ID 1781437