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1,4-Benzenedicarboxylic acid, 2,3-dihydroxy-

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

1,4-Benzenedicarboxylic acid, 2,3-dihydroxy-
SpectraBase Compound ID 86WT5Ws0UzH
InChI InChI=1S/C8H6O6/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)
InChIKey OHLSHRJUBRUKAN-UHFFFAOYSA-N
Mol Weight 198.13 g/mol
Molecular Formula C8H6O6
Exact Mass 198.016438 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BJ8BT7tfRAI
Name 1,4-Benzenedicarboxylic acid, 2,3-dihydroxy-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.016437907 u
Formula C8H6O6
InChI InChI=1S/C8H6O6/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)
InChIKey OHLSHRJUBRUKAN-UHFFFAOYSA-N
Molecular Weight 198.130 g/mol
SMILES C(=O)(C=1C(O)=C(O)C(C(O)=O)=CC1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.990982