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2'-Hydroxyflavanone, pentafluoropropionate

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

2'-Hydroxyflavanone, pentafluoropropionate
SpectraBase Compound ID EqyOTRPcDrl
InChI InChI=1S/C18H11F5O4/c19-17(20,18(21,22)23)16(25)27-14-8-4-2-6-11(14)15-9-12(24)10-5-1-3-7-13(10)26-15/h1-8,15H,9H2
InChIKey VNBVBHODJBDKBE-UHFFFAOYSA-N
Mol Weight 386.27 g/mol
Molecular Formula C18H11F5O4
Exact Mass 386.05775 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Aga8GCx8PQF
Name 2'-Hydroxyflavanone, pentafluoropropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.057749645 u
Formula C18H11F5O4
InChI InChI=1S/C18H11F5O4/c19-17(20,18(21,22)23)16(25)27-14-8-4-2-6-11(14)15-9-12(24)10-5-1-3-7-13(10)26-15/h1-8,15H,9H2
InChIKey VNBVBHODJBDKBE-UHFFFAOYSA-N
Molecular Weight 386.274 g/mol
SMILES C12=CC=CC=C2C(CC(O1)C1=CC=CC=C1OC(C(C(F)(F)F)(F)F)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867616