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

*Links on SpectraBase are not permalinks.

Gulonic acid (et-tfa)

View entire compound with spectra: 1 NMR

Gulonic acid (et-tfa)
SpectraBase Compound ID 2tXv91T3DLT
InChI InChI=1S/C18H11F15O12/c1-2-40-8(34)7(45-13(39)18(31,32)33)6(44-12(38)17(28,29)30)5(43-11(37)16(25,26)27)4(42-10(36)15(22,23)24)3-41-9(35)14(19,20)21/h4-7H,2-3H2,1H3
InChIKey YEOXURMTTQOTRX-UHFFFAOYSA-N
Mol Weight 704.25 g/mol
Molecular Formula C18H11F15O12
Exact Mass 704.001098 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 LuAWuzNjdmK
Name Gulonic acid (et-tfa)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 704.001098227 u
Formula C18H11F15O12
InChI InChI=1S/C18H11F15O12/c1-2-40-8(34)7(45-13(39)18(31,32)33)6(44-12(38)17(28,29)30)5(43-11(37)16(25,26)27)4(42-10(36)15(22,23)24)3-41-9(35)14(19,20)21/h4-7H,2-3H2,1H3
InChIKey YEOXURMTTQOTRX-UHFFFAOYSA-N
Molecular Weight 704.250 g/mol
SMILES C(C(C(C(COC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)(C(OCC)=O)OC(C(F)(F)F)=O