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5,5-Diethoxy-4-oxopent-2-yn-1-yl Benzoate

View entire compound with spectra: 1 MS (GC)

5,5-Diethoxy-4-oxopent-2-yn-1-yl Benzoate
SpectraBase Compound ID BBOenWDbZof
InChI InChI=1S/C16H18O5/c1-3-19-16(20-4-2)14(17)11-8-12-21-15(18)13-9-6-5-7-10-13/h5-7,9-10,16H,3-4,12H2,1-2H3
InChIKey ISMJMBBVFJWAKB-UHFFFAOYSA-N
Mol Weight 290.31 g/mol
Molecular Formula C16H18O5
Exact Mass 290.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bWVUHdJ86R
Name 5,5-Diethoxy-4-oxopent-2-yn-1-yl Benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O5
InChI InChI=1S/C16H18O5/c1-3-19-16(20-4-2)14(17)11-8-12-21-15(18)13-9-6-5-7-10-13/h5-7,9-10,16H,3-4,12H2,1-2H3
InChIKey ISMJMBBVFJWAKB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200423
Molecular Weight 290.315 g/mol
SMILES C(c1ccccc1)(=O)OCC#CC(C(OCC)OCC)=O
SPLASH splash10-0ufs-9500000000-1d7b6dec31e5e3124702
Source of Spectrum H-95-2114-10a_Bz
Wiley ID 1784197