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3-(3,4-Dihydroxyphenyl)-6-(2-carboxyethenyl)-1,4-benzodioxane-2-carboxylic acid
SpectraBase Compound ID Hab15GA2uWr
InChI InChI=1S/C18H14O8/c19-11-4-3-10(8-12(11)20)16-17(18(23)24)25-13-5-1-9(2-6-15(21)22)7-14(13)26-16/h1-8,16-17,19-20H,(H,21,22)(H,23,24)/b6-2+
InChIKey DLZYRKXMMDHFRO-QHHAFSJGSA-N
Mol Weight 358.3 g/mol
Molecular Formula C18H14O8
Exact Mass 358.068867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9cNPk7CA1Yh
Name 3-(3,4-Dihydroxyphenyl)-6-(2-carboxyethenyl)-1,4-benzodioxane-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14O8
InChI InChI=1S/C18H14O8/c19-11-4-3-10(8-12(11)20)16-17(18(23)24)25-13-5-1-9(2-6-15(21)22)7-14(13)26-16/h1-8,16-17,19-20H,(H,21,22)(H,23,24)/b6-2+
InChIKey DLZYRKXMMDHFRO-QHHAFSJGSA-N
Molecular Weight 358.302 g/mol
SMILES OC(\C=C\c1cc2c(OC(C(c3cc(c(cc3)O)O)O2)C(=O)O)cc1)=O
SPLASH splash10-01ox-0907000000-b0bb460791007f7dc41d
Source of Spectrum O1-56-251-9
Synonyms 6-[(E)-2-carboxyethenyl]-3-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-carboxylic acid
Wiley ID 1591627