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Clorofene, heptafluorobutyrate

View entire compound with spectra: 1 FTIR

Clorofene, heptafluorobutyrate
SpectraBase Compound ID 9yd4C0f9Kjf
InChI InChI=1S/C17H10ClF7O2/c18-12-6-7-13(11(9-12)8-10-4-2-1-3-5-10)27-14(26)15(19,20)16(21,22)17(23,24)25/h1-7,9H,8H2
InChIKey ZNZLDLASBBZYQK-UHFFFAOYSA-N
Mol Weight 414.71 g/mol
Molecular Formula C17H10ClF7O2
Exact Mass 414.025754 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FIBB2wYK5hF
Name Clorofene, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.025754401 u
Formula C17H10ClF7O2
InChI InChI=1S/C17H10ClF7O2/c18-12-6-7-13(11(9-12)8-10-4-2-1-3-5-10)27-14(26)15(19,20)16(21,22)17(23,24)25/h1-7,9H,8H2
InChIKey ZNZLDLASBBZYQK-UHFFFAOYSA-N
Molecular Weight 414.707 g/mol
SMILES C1(Cl)=CC(=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943884