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2,5,8,11-Tetraoxatridecan-13-yl 2,3,4,5,6-pentafluorobenzoate

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

2,5,8,11-Tetraoxatridecan-13-yl 2,3,4,5,6-pentafluorobenzoate
SpectraBase Compound ID 3SeImx71qHU
InChI InChI=1S/C16H19F5O6/c1-23-2-3-24-4-5-25-6-7-26-8-9-27-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h2-9H2,1H3
InChIKey SIBNAOBOEUIEEN-UHFFFAOYSA-N
Mol Weight 402.31 g/mol
Molecular Formula C16H19F5O6
Exact Mass 402.110179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 31cdxl9K4Pe
Name 2,5,8,11-Tetraoxatridecan-13-yl 2,3,4,5,6-pentafluorobenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.110179141 u
Formula C16H19F5O6
InChI InChI=1S/C16H19F5O6/c1-23-2-3-24-4-5-25-6-7-26-8-9-27-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h2-9H2,1H3
InChIKey SIBNAOBOEUIEEN-UHFFFAOYSA-N
Molecular Weight 402.314 g/mol
SMILES C(OC(C1=C(C(=C(C(=C1F)F)F)F)F)=O)COCCOCCOCCOC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910838