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2-acetoxy-3-(3,4-methylenedioxophenyl)propionic acid
SpectraBase Compound ID 5zDRbrcgJzt
InChI InChI=1S/C12H12O6/c1-7(13)18-11(12(14)15)5-8-2-3-9-10(4-8)17-6-16-9/h2-4,11H,5-6H2,1H3,(H,14,15)
InChIKey DKLLQZGTSBVZGF-UHFFFAOYSA-N
Mol Weight 252.22 g/mol
Molecular Formula C12H12O6
Exact Mass 252.063388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K810IGrnXHD
Name 2-acetoxy-3-(3,4-methylenedioxophenyl)propionic acid
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O6
InChI InChI=1S/C12H12O6/c1-7(13)18-11(12(14)15)5-8-2-3-9-10(4-8)17-6-16-9/h2-4,11H,5-6H2,1H3,(H,14,15)
InChIKey DKLLQZGTSBVZGF-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 252.222 g/mol
Reported Formula C12H12O6
SMILES OC(C(Cc1cc2c(cc1)OCO2)OC(=O)C)=O
SPLASH splash10-000f-0900000000-906223b01139112cbf95
Source of Spectrum CN101607904B
Wiley ID 1876984