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6-Carboxy-4'-chloroflavonol

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

6-Carboxy-4'-chloroflavonol
SpectraBase Compound ID CIAuLZ1QsQL
InChI InChI=1S/C16H9ClO5/c17-10-4-1-8(2-5-10)15-14(19)13(18)11-7-9(16(20)21)3-6-12(11)22-15/h1-7,19H,(H,20,21)
InChIKey OPGIOCSFKZBZTC-UHFFFAOYSA-N
Mol Weight 316.7 g/mol
Molecular Formula C16H9ClO5
Exact Mass 316.013851 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID mLKUX98iO3
Name 6-Carboxy-4'-chloroflavonol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.013851085 u
Formula C16H9ClO5
InChI InChI=1S/C16H9ClO5/c17-10-4-1-8(2-5-10)15-14(19)13(18)11-7-9(16(20)21)3-6-12(11)22-15/h1-7,19H,(H,20,21)
InChIKey OPGIOCSFKZBZTC-UHFFFAOYSA-N
Molecular Weight 316.696 g/mol
SMILES C1(=C(C(=O)C=2C(O1)=CC=C(C2)C(=O)O)O)C1=CC=C(C=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96734