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4-Hydroxychalcone, pentafluoropropionate

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

4-Hydroxychalcone, pentafluoropropionate
SpectraBase Compound ID 6L4ZCvPM93n
InChI InChI=1S/C18H11F5O3/c19-17(20,18(21,22)23)16(25)26-14-9-6-12(7-10-14)8-11-15(24)13-4-2-1-3-5-13/h1-11H/b11-8+
InChIKey RYHCBYNXHVTMBM-DHZHZOJOSA-N
Mol Weight 370.28 g/mol
Molecular Formula C18H11F5O3
Exact Mass 370.062835 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5m4mY0sPRrL
Name 4-Hydroxychalcone, pentafluoropropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.062835026 u
Formula C18H11F5O3
InChI InChI=1S/C18H11F5O3/c19-17(20,18(21,22)23)16(25)26-14-9-6-12(7-10-14)8-11-15(24)13-4-2-1-3-5-13/h1-11H/b11-8+
InChIKey RYHCBYNXHVTMBM-DHZHZOJOSA-N
Molecular Weight 370.275 g/mol
SMILES C1(=CC=CC=C1)C(\C=C\C1=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86147