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3-Hydroxybenzophenone, pentafluoropropionate

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

3-Hydroxybenzophenone, pentafluoropropionate
SpectraBase Compound ID GTgrXyT8TL2
InChI InChI=1S/C16H9F5O3/c17-15(18,16(19,20)21)14(23)24-12-8-4-7-11(9-12)13(22)10-5-2-1-3-6-10/h1-9H
InChIKey VXQIWRUQWMFBPF-UHFFFAOYSA-N
Mol Weight 344.24 g/mol
Molecular Formula C16H9F5O3
Exact Mass 344.047185 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9e40p1HjZhK
Name 3-Hydroxybenzophenone, pentafluoropropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.047184962 u
Formula C16H9F5O3
InChI InChI=1S/C16H9F5O3/c17-15(18,16(19,20)21)14(23)24-12-8-4-7-11(9-12)13(22)10-5-2-1-3-6-10/h1-9H
InChIKey VXQIWRUQWMFBPF-UHFFFAOYSA-N
Molecular Weight 344.237 g/mol
SMILES C1(OC(C(C(F)(F)F)(F)F)=O)=CC(=CC=C1)C(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97329