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3-(2,4,5-trimethoxyphenyl)cyclobut-3-ene-1,2-dione
SpectraBase Compound ID 4356jXA9OfH
InChI InChI=1S/C13H12O5/c1-16-10-6-12(18-3)11(17-2)5-7(10)8-4-9(14)13(8)15/h4-6H,1-3H3
InChIKey JRVBXTYRWNUSSI-UHFFFAOYSA-N
Mol Weight 248.23 g/mol
Molecular Formula C13H12O5
Exact Mass 248.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Cr2OjuXmE7
Name 3-(2,4,5-trimethoxyphenyl)cyclobut-3-ene-1,2-dione
Alternate Name(s) 3-Asarylcyclobut-3-ene-1,2-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O5
InChI InChI=1S/C13H12O5/c1-16-10-6-12(18-3)11(17-2)5-7(10)8-4-9(14)13(8)15/h4-6H,1-3H3
InChIKey JRVBXTYRWNUSSI-UHFFFAOYSA-N
Molecular Weight 248.234 g/mol
SMILES C1(=CC(C1=O)=O)c1c(cc(c(c1)OC)OC)OC
SPLASH splash10-0007-0930000000-ea1fda1fe125b0d4dbf5
Source of Spectrum J-61-2091-9
Wiley ID 1250883