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

*Links on SpectraBase are not permalinks.

Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-nitrophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-nitrophenyl ester
SpectraBase Compound ID K9IRzHA3MJv
InChI InChI=1S/C16H13F8NO6/c17-13(18)15(21,22)16(23,24)14(19,20)8-30-11(26)5-2-6-12(27)31-10-4-1-3-9(7-10)25(28)29/h1,3-4,7,13H,2,5-6,8H2
InChIKey QGRYPZFLDRRDOR-UHFFFAOYSA-N
Mol Weight 467.27 g/mol
Molecular Formula C16H13F8NO6
Exact Mass 467.061512 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 5a1LQOAl9kf
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-nitrophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.061512441 u
Formula C16H13F8NO6
InChI InChI=1S/C16H13F8NO6/c17-13(18)15(21,22)16(23,24)14(19,20)8-30-11(26)5-2-6-12(27)31-10-4-1-3-9(7-10)25(28)29/h1,3-4,7,13H,2,5-6,8H2
InChIKey QGRYPZFLDRRDOR-UHFFFAOYSA-N
Molecular Weight 467.268 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC1=CC=CC(=C1)N(=O)=O)=O