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1,4,4-Trimethoxy-3-oxo-1-butenyl benzoate
SpectraBase Compound ID 1HtdiBaGyOK
InChI InChI=1S/C14H16O6/c1-17-12(9-11(15)14(18-2)19-3)20-13(16)10-7-5-4-6-8-10/h4-9,14H,1-3H3/b12-9+
InChIKey PJKDGJLVZROYJY-FMIVXFBMSA-N
Mol Weight 280.28 g/mol
Molecular Formula C14H16O6
Exact Mass 280.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C45Tb80tX8F
Name 1,4,4-Trimethoxy-3-oxo-1-butenyl benzoate
Alternate Name(s) (1E)-1,4,4-trimethoxy-3-oxo-1-butenyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O6
InChI InChI=1S/C14H16O6/c1-17-12(9-11(15)14(18-2)19-3)20-13(16)10-7-5-4-6-8-10/h4-9,14H,1-3H3/b12-9+
InChIKey PJKDGJLVZROYJY-FMIVXFBMSA-N
Molecular Weight 280.276 g/mol
SMILES C(O\C(=C\C(C(OC)OC)=O)OC)(=O)c1ccccc1
SPLASH splash10-0a4i-3900000000-779549b93db920d76a2f
Source of Spectrum Y4-91-139-13
Wiley ID 1550536