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3-(4-Chlorooctafluorobutyl)coumarin
SpectraBase Compound ID Ivjz1nampmH
InChI InChI=1S/C13H5ClF8O2/c14-13(21,22)12(19,20)11(17,18)10(15,16)7-5-6-3-1-2-4-8(6)24-9(7)23/h1-5H
InChIKey KBEXCXDFBICYCC-UHFFFAOYSA-N
Mol Weight 380.62 g/mol
Molecular Formula C13H5ClF8O2
Exact Mass 379.985032 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IaJwtqQBZM
Name 3-(4-Chlorooctafluorobutyl)coumarin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.985032403 u
Formula C13H5ClF8O2
InChI InChI=1S/C13H5ClF8O2/c14-13(21,22)12(19,20)11(17,18)10(15,16)7-5-6-3-1-2-4-8(6)24-9(7)23/h1-5H
InChIKey KBEXCXDFBICYCC-UHFFFAOYSA-N
Molecular Weight 380.621 g/mol
SMILES C(C(C(Cl)(F)F)(F)F)(C(C=1C(OC2=C(C1)C=CC=C2)=O)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862891