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

*Links on SpectraBase are not permalinks.

Heptadecafluorononanoic acid, tridecyl ester

View entire compound with spectra: 1 NMR

Heptadecafluorononanoic acid, tridecyl ester
SpectraBase Compound ID BEPM9hkLvdS
InChI InChI=1S/C22H27F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-41-14(40)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)39/h2-13H2,1H3
InChIKey VNZWTUSLODRFTP-UHFFFAOYSA-N
Mol Weight 646.43 g/mol
Molecular Formula C22H27F17O2
Exact Mass 646.173959 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 BqvYYo8mcF1
Name Heptadecafluorononanoic acid, tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 646.173958878 u
Formula C22H27F17O2
InChI InChI=1S/C22H27F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-41-14(40)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)39/h2-13H2,1H3
InChIKey VNZWTUSLODRFTP-UHFFFAOYSA-N
Molecular Weight 646.429 g/mol
SMILES C(C(C(C(C(OCCCCCCCCCCCCC)=O)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F