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Dimethyl (E)-2-(3,4,5-trihydroxyphenyl)-2-butenedioate
SpectraBase Compound ID 4PJNTsEssMS
InChI InChI=1S/C12H12O7/c1-18-10(15)5-7(12(17)19-2)6-3-8(13)11(16)9(14)4-6/h3-5,13-14,16H,1-2H3/b7-5+
InChIKey JXVUCAJQEXDSFO-FNORWQNLSA-N
Mol Weight 268.22 g/mol
Molecular Formula C12H12O7
Exact Mass 268.058303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ek9YGQBzmEs
Name Dimethyl (E)-2-(3,4,5-trihydroxyphenyl)-2-butenedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O7
InChI InChI=1S/C12H12O7/c1-18-10(15)5-7(12(17)19-2)6-3-8(13)11(16)9(14)4-6/h3-5,13-14,16H,1-2H3/b7-5+
InChIKey JXVUCAJQEXDSFO-FNORWQNLSA-N
Molecular Weight 268.221 g/mol
SMILES Oc1cc(cc(c1O)O)\C(C(=O)OC)=C/C(=O)OC
SPLASH splash10-00kf-7390000000-34f0b7e52ba233607f05
Source of Spectrum KC-57-7540-8
Synonyms Dimethyl (2E)-2-(3,4,5-trihydroxyphenyl)-2-butenedioate
Wiley ID 1625512