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Clorofene, pentafluoropropionate

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

Clorofene, pentafluoropropionate
SpectraBase Compound ID BFJQeq9N8kS
InChI InChI=1S/C16H10ClF5O2/c17-12-6-7-13(24-14(23)15(18,19)16(20,21)22)11(9-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKey WQVMYTQNWQZNPD-UHFFFAOYSA-N
Mol Weight 364.7 g/mol
Molecular Formula C16H10ClF5O2
Exact Mass 364.028948 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F6Aa31IRCgN
Name Clorofene, pentafluoropropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.028948075 u
Formula C16H10ClF5O2
InChI InChI=1S/C16H10ClF5O2/c17-12-6-7-13(24-14(23)15(18,19)16(20,21)22)11(9-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKey WQVMYTQNWQZNPD-UHFFFAOYSA-N
Molecular Weight 364.699 g/mol
SMILES C1(Cl)=CC(=C(C=C1)OC(C(C(F)(F)F)(F)F)=O)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86644