For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

cis-1,4-Cyclohexanediol, bis(heptafluorobutyrate)

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

cis-1,4-Cyclohexanediol, bis(heptafluorobutyrate)
SpectraBase Compound ID 3HmX80GI20Y
InChI InChI=1S/C14H10F14O4/c15-9(16,11(19,20)13(23,24)25)7(29)31-5-1-2-6(4-3-5)32-8(30)10(17,18)12(21,22)14(26,27)28/h5-6H,1-4H2
InChIKey HZWYOAHDSSVUKE-UHFFFAOYSA-N
Mol Weight 508.21 g/mol
Molecular Formula C14H10F14O4
Exact Mass 508.035553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3FwpcaHi50S
Name cis-1,4-Cyclohexanediol, bis(heptafluorobutyrate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.035553080 u
Formula C14H10F14O4
InChI InChI=1S/C14H10F14O4/c15-9(16,11(19,20)13(23,24)25)7(29)31-5-1-2-6(4-3-5)32-8(30)10(17,18)12(21,22)14(26,27)28/h5-6H,1-4H2
InChIKey HZWYOAHDSSVUKE-UHFFFAOYSA-N
Molecular Weight 508.208 g/mol
SMILES C1(CCC(CC1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F