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1,3,6,8-Tetrahydroxy-9H-xanthen-9-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

1,3,6,8-Tetrahydroxy-9H-xanthen-9-one
SpectraBase Compound ID B3NbMaVsM28
InChI InChI=1S/C13H8O6/c14-5-1-7(16)11-9(3-5)19-10-4-6(15)2-8(17)12(10)13(11)18/h1-4,14-17H
InChIKey CMBUJUMLPKDEOH-UHFFFAOYSA-N
Mol Weight 260.2 g/mol
Molecular Formula C13H8O6
Exact Mass 260.032088 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CzBHVBhyhQm
Name 1,3,6,8-Tetrahydroxy-9H-xanthen-9-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.032087972 u
Formula C13H8O6
InChI InChI=1S/C13H8O6/c14-5-1-7(16)11-9(3-5)19-10-4-6(15)2-8(17)12(10)13(11)18/h1-4,14-17H
InChIKey CMBUJUMLPKDEOH-UHFFFAOYSA-N
Molecular Weight 260.201 g/mol
SMILES C1(O)=CC(O)=CC2=C1C(=O)C1=C(O)C=C(O)C=C1O2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965656