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

*Links on SpectraBase are not permalinks.

Pentadecafluorooctanoic acid, 2-methylpent-3-yl ester

View entire compound with spectra: 1 NMR

Pentadecafluorooctanoic acid, 2-methylpent-3-yl ester
SpectraBase Compound ID GMvbPrUOZ08
InChI InChI=1S/C14H13F15O2/c1-4-6(5(2)3)31-7(30)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h5-6H,4H2,1-3H3
InChIKey LZAPIGSUVTWSOH-UHFFFAOYSA-N
Mol Weight 498.23 g/mol
Molecular Formula C14H13F15O2
Exact Mass 498.067602 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 9su3b8rRClf
Name Pentadecafluorooctanoic acid, 2-methylpent-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.067602102 u
Formula C14H13F15O2
InChI InChI=1S/C14H13F15O2/c1-4-6(5(2)3)31-7(30)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h5-6H,4H2,1-3H3
InChIKey LZAPIGSUVTWSOH-UHFFFAOYSA-N
Molecular Weight 498.232 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OC(CC)C(C)C)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F