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Catechol, bis(heptafluorobutyrate)

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

Catechol, bis(heptafluorobutyrate)
SpectraBase Compound ID Xh1xCdHIfY
InChI InChI=1S/C14H4F14O4/c15-9(16,11(19,20)13(23,24)25)7(29)31-5-3-1-2-4-6(5)32-8(30)10(17,18)12(21,22)14(26,27)28/h1-4H
InChIKey CUNKTZDRZMJYNR-UHFFFAOYSA-N
Mol Weight 502.16 g/mol
Molecular Formula C14H4F14O4
Exact Mass 501.988603 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KpEt8X7kbIV
Name Catechol, bis(heptafluorobutyrate)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.988602887 u
Formula C14H4F14O4
InChI InChI=1S/C14H4F14O4/c15-9(16,11(19,20)13(23,24)25)7(29)31-5-3-1-2-4-6(5)32-8(30)10(17,18)12(21,22)14(26,27)28/h1-4H
InChIKey CUNKTZDRZMJYNR-UHFFFAOYSA-N
Molecular Weight 502.160 g/mol
SMILES C1(=CC=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982487