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(Tridecafluorohexyl)benzene

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

(Tridecafluorohexyl)benzene
SpectraBase Compound ID CJLaXWb5K4j
InChI InChI=1S/C12H5F13/c13-7(14,6-4-2-1-3-5-6)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1-5H
InChIKey CDMCLELUDINUDU-UHFFFAOYSA-N
Mol Weight 396.15 g/mol
Molecular Formula C12H5F13
Exact Mass 396.018366 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K8faRm1RMTW
Name (Tridecafluorohexyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.018366280 u
Formula C12H5F13
InChI InChI=1S/C12H5F13/c13-7(14,6-4-2-1-3-5-6)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1-5H
InChIKey CDMCLELUDINUDU-UHFFFAOYSA-N
Molecular Weight 396.151 g/mol
SMILES C1(=CC=CC=C1)C(F)(F)C(F)(F)C(F)(F)C(F)(C(C(F)(F)F)(F)F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894504