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7-Hydroxy-6-methoxyisoflavone, chlorodifluoroacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

7-Hydroxy-6-methoxyisoflavone, chlorodifluoroacetate
SpectraBase Compound ID BkMBgV37diA
InChI InChI=1S/C18H11ClF2O5/c1-24-14-7-11-13(8-15(14)26-17(23)18(19,20)21)25-9-12(16(11)22)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey KKZIQMAUKLGZLR-UHFFFAOYSA-N
Mol Weight 380.73 g/mol
Molecular Formula C18H11ClF2O5
Exact Mass 380.026307 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ci4ukFn80R0
Name 7-Hydroxy-6-methoxyisoflavone, chlorodifluoroacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.026307475 u
Formula C18H11ClF2O5
InChI InChI=1S/C18H11ClF2O5/c1-24-14-7-11-13(8-15(14)26-17(23)18(19,20)21)25-9-12(16(11)22)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey KKZIQMAUKLGZLR-UHFFFAOYSA-N
Molecular Weight 380.731 g/mol
SMILES C1(=CC=CC=C1)C=1C(C2=CC(=C(C=C2OC1)OC(C(F)(F)Cl)=O)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876829