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3-Methyl-1-(2,4,5-trihydroxyphenyl)-2-buten-1-one
SpectraBase Compound ID H7YhBxxpLoV
InChI InChI=1S/C11H12O4/c1-6(2)3-8(12)7-4-10(14)11(15)5-9(7)13/h3-5,13-15H,1-2H3
InChIKey OAPQTJUMDYSVBG-UHFFFAOYSA-N
Mol Weight 208.21 g/mol
Molecular Formula C11H12O4
Exact Mass 208.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20k76KL0TIi
Name 3-Methyl-1-(2,4,5-trihydroxyphenyl)-2-buten-1-one
Alternate Name(s) 3-Methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one 3-Methyl-1-[2,4,5-tris(oxidanyl)phenyl]but-2-en-1-one
CAS Registry Number 118948-72-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O4
InChI InChI=1S/C11H12O4/c1-6(2)3-8(12)7-4-10(14)11(15)5-9(7)13/h3-5,13-15H,1-2H3
InChIKey OAPQTJUMDYSVBG-UHFFFAOYSA-N
Molecular Weight 208.213 g/mol
SMILES Oc1cc(c(cc1O)O)C(C=C(C)C)=O
SPLASH splash10-0f6x-0910000000-db80a7ada2ab511577f1
Source of Spectrum Y-25-872-3
Wiley ID 1206570