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3'-Hydroxyflavanone, trifluoroacetate

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

3'-Hydroxyflavanone, trifluoroacetate
SpectraBase Compound ID 4e7B0xTp4fx
InChI InChI=1S/C17H11F3O4/c18-17(19,20)16(22)23-11-5-3-4-10(8-11)15-9-13(21)12-6-1-2-7-14(12)24-15/h1-8,15H,9H2
InChIKey XETRKALBTLPNPZ-UHFFFAOYSA-N
Mol Weight 336.27 g/mol
Molecular Formula C17H11F3O4
Exact Mass 336.060943 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5b5cxzJGyak
Name 3'-Hydroxyflavanone, trifluoroacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.060943319 u
Formula C17H11F3O4
InChI InChI=1S/C17H11F3O4/c18-17(19,20)16(22)23-11-5-3-4-10(8-11)15-9-13(21)12-6-1-2-7-14(12)24-15/h1-8,15H,9H2
InChIKey XETRKALBTLPNPZ-UHFFFAOYSA-N
Molecular Weight 336.266 g/mol
SMILES C1=C(C=CC=C1OC(C(F)(F)F)=O)C1CC(C2=CC=CC=C2O1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.841203