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Methyl isoxerocomate
SpectraBase Compound ID jXfpBhcTDn
InChI InChI=1S/C19H14O8/c1-26-18(24)15(10-4-7-12(21)13(22)8-10)17-16(23)14(19(25)27-17)9-2-5-11(20)6-3-9/h2-8,20-23H,1H3/b17-15+
InChIKey MQGKKAARIPLGTI-BMRADRMJSA-N
Mol Weight 370.31 g/mol
Molecular Formula C19H14O8
Exact Mass 370.068867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cp1y7ktVcRW
Name Methyl isoxerocomate
Alternate Name(s) (E)-methyl 2-(3,4-dihydroxyphenyl)-2-(3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2(5H)-ylidene)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14O8
InChI InChI=1S/C19H14O8/c1-26-18(24)15(10-4-7-12(21)13(22)8-10)17-16(23)14(19(25)27-17)9-2-5-11(20)6-3-9/h2-8,20-23H,1H3/b17-15+
InChIKey MQGKKAARIPLGTI-BMRADRMJSA-N
Literature Reference DOI 10.5560/ZNB.2014-3307
Molecular Weight 370.313 g/mol
SMILES OC1=C(C(O\C1=C\(c1ccc(c(c1)O)O)C(OC)=O)=O)c1ccc(cc1)O
SPLASH splash10-002r-3938000000-f06b52ed175f3e17c414
Source of Spectrum ZNB-69b-437-2b
Wiley ID 1747976