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2,3-Dimethyl-7-acetoxy-5-hydroxy-4H-(1)-benzopyran-4-one
SpectraBase Compound ID AAXEsgOYeVH
InChI InChI=1S/C13H12O5/c1-6-7(2)17-11-5-9(18-8(3)14)4-10(15)12(11)13(6)16/h4-5,15H,1-3H3
InChIKey KHNGURRAMFBWPQ-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 4zymTjV9NGU
Name 2,3-Dimethyl-7-acetoxy-5-hydroxy-4H-(1)-benzopyran-4-one
Alternate Name(s) 5-Hydroxy-2,3-dimethyl-4-oxo-4H-chromen-7-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O5
InChI InChI=1S/C13H12O5/c1-6-7(2)17-11-5-9(18-8(3)14)4-10(15)12(11)13(6)16/h4-5,15H,1-3H3
InChIKey KHNGURRAMFBWPQ-UHFFFAOYSA-N
Molecular Weight 248.234 g/mol
SMILES Oc1c2C(C(=C(Oc2cc(c1)OC(=O)C)C)C)=O
SPLASH splash10-0a4l-5490000000-cc8b34c357843bd55213
Source of Spectrum SK-26-4012-7
Wiley ID 867438