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2,3,4,6-tetrahydroxy-5H-benzocyclohepten-5-one

View entire compound with spectra: 4 NMR, 3 FTIR, and 2 MS (GC)

2,3,4,6-tetrahydroxy-5H-benzocyclohepten-5-one
SpectraBase Compound ID DTuo8ijZMsA
InChI InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)
InChIKey WDGFFVCWBZVLCE-UHFFFAOYSA-N
Mol Weight 220.18 g/mol
Molecular Formula C11H8O5
Exact Mass 220.037173 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7eumknovpoE
Name Purpurogallin
Source of Sample Aldrich
Catalog Number P55902
CAS Registry Number 569-77-7
Classification Aromatic ketones
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8O5
InChI InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)
InChIKey WDGFFVCWBZVLCE-UHFFFAOYSA-N
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one MLS000738105
Technique Mull
Wiley ID SIAL_FTIR_1_10683