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9H-Xanthene-2-carboxylic acid, 7-chloro-9-oxo-

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

9H-Xanthene-2-carboxylic acid, 7-chloro-9-oxo-
SpectraBase Compound ID 8u5B3rUBDeV
InChI InChI=1S/C14H7ClO4/c15-8-2-4-12-10(6-8)13(16)9-5-7(14(17)18)1-3-11(9)19-12/h1-6H,(H,17,18)
InChIKey VQTMHJSUIGMOLT-UHFFFAOYSA-N
Mol Weight 274.66 g/mol
Molecular Formula C14H7ClO4
Exact Mass 274.003286 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G2SmKcCDlIY
Name 9H-Xanthene-2-carboxylic acid, 7-chloro-9-oxo-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.003286401 u
Formula C14H7ClO4
InChI InChI=1S/C14H7ClO4/c15-8-2-4-12-10(6-8)13(16)9-5-7(14(17)18)1-3-11(9)19-12/h1-6H,(H,17,18)
InChIKey VQTMHJSUIGMOLT-UHFFFAOYSA-N
SMILES C1=2C(C=3C=C(Cl)C=CC3OC2C=CC(=C1)C(=O)O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925834