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1,8-Anthracenedicarboxylic acid

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

1,8-Anthracenedicarboxylic acid
SpectraBase Compound ID COfcwFh61W
InChI InChI=1S/C16H10O4/c17-15(18)11-5-1-3-9-7-10-4-2-6-12(16(19)20)14(10)8-13(9)11/h1-8H,(H,17,18)(H,19,20)
InChIKey HVDGDWCHFUHZMF-UHFFFAOYSA-N
Mol Weight 266.25 g/mol
Molecular Formula C16H10O4
Exact Mass 266.057909 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JKkaFnP6pJL
Name 1,8-Anthracenedicarboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.057908798 u
Formula C16H10O4
InChI InChI=1S/C16H10O4/c17-15(18)11-5-1-3-9-7-10-4-2-6-12(16(19)20)14(10)8-13(9)11/h1-8H,(H,17,18)(H,19,20)
InChIKey HVDGDWCHFUHZMF-UHFFFAOYSA-N
Molecular Weight 266.252 g/mol
SMILES C12=CC3=C(C(=O)O)C=CC=C3C=C2C=CC=C1C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885624