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

*Links on SpectraBase are not permalinks.

Pentanoic acid, 2-methyl-, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohptyl ester

View entire compound with spectra: 1 NMR

Pentanoic acid, 2-methyl-, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohptyl ester
SpectraBase Compound ID DsF8SNxnPR4
InChI InChI=1S/C13H14F12O2/c1-3-4-6(2)7(26)27-5-9(16,17)11(20,21)13(24,25)12(22,23)10(18,19)8(14)15/h6,8H,3-5H2,1-2H3
InChIKey NHXJWXXJHULIRB-UHFFFAOYSA-N
Mol Weight 430.23 g/mol
Molecular Formula C13H14F12O2
Exact Mass 430.080218 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 IdXU8j7o8Yt
Name Pentanoic acid, 2-methyl-, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.080217645 u
Formula C13H14F12O2
InChI InChI=1S/C13H14F12O2/c1-3-4-6(2)7(26)27-5-9(16,17)11(20,21)13(24,25)12(22,23)10(18,19)8(14)15/h6,8H,3-5H2,1-2H3
InChIKey NHXJWXXJHULIRB-UHFFFAOYSA-N
Molecular Weight 430.234 g/mol
SMILES C(C(COC(C(CCC)C)=O)(F)F)(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F