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Diacetyl-3,4-dihydroxyphenyl-2-propanone

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

Diacetyl-3,4-dihydroxyphenyl-2-propanone
SpectraBase Compound ID Ehg7Ur870Zf
InChI InChI=1S/C13H14O5/c1-8(14)6-11-4-5-12(17-9(2)15)13(7-11)18-10(3)16/h4-5,7H,6H2,1-3H3
InChIKey YLYBTPCMVVEYJZ-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3NvPiMGZYis
Name Diacetyl-3,4-dihydroxyphenyl-2-propanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.084123546 u
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-8(14)6-11-4-5-12(17-9(2)15)13(7-11)18-10(3)16/h4-5,7H,6H2,1-3H3
InChIKey YLYBTPCMVVEYJZ-UHFFFAOYSA-N
Molecular Weight 250.250 g/mol
SMILES C1(=CC(=C(C=C1)OC(C)=O)OC(=O)C)CC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876721