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

*Links on SpectraBase are not permalinks.

2,6,10-Trimethylundecanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester

View entire compound with spectra: 1 NMR

2,6,10-Trimethylundecanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID 9UjrgKJUcFa
InChI InChI=1S/C18H29F7O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)15(26)27-11-16(19,20)17(21,22)18(23,24)25/h12-14H,5-11H2,1-4H3
InChIKey PXQYUFMKPUSMGH-UHFFFAOYSA-N
Mol Weight 410.42 g/mol
Molecular Formula C18H29F7O2
Exact Mass 410.205577 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 HMkGLbPek6w
Name 2,6,10-Trimethylundecanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.205577313 u
Formula C18H29F7O2
InChI InChI=1S/C18H29F7O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)15(26)27-11-16(19,20)17(21,22)18(23,24)25/h12-14H,5-11H2,1-4H3
InChIKey PXQYUFMKPUSMGH-UHFFFAOYSA-N
Molecular Weight 410.417 g/mol
SMILES C(CC(C(=O)OCC(C(C(F)(F)F)(F)F)(F)F)C)CC(CCCC(C)C)C