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

*Links on SpectraBase are not permalinks.

Butanedioic acid, mono(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl) ester

View entire compound with spectra: 1 NMR

Butanedioic acid, mono(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl) ester
SpectraBase Compound ID LBLN4sS73Ya
InChI InChI=1S/C16H9F21O4/c17-7(18,3-4-41-6(40)2-1-5(38)39)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h1-4H2,(H,38,39)
InChIKey DUFAGEJTZPHZLY-UHFFFAOYSA-N
Mol Weight 664.21 g/mol
Molecular Formula C16H9F21O4
Exact Mass 664.01655 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 EktVdQ0uw5h
Name Butanedioic acid, mono(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 664.016550189 u
Formula C16H9F21O4
InChI InChI=1S/C16H9F21O4/c17-7(18,3-4-41-6(40)2-1-5(38)39)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h1-4H2,(H,38,39)
InChIKey DUFAGEJTZPHZLY-UHFFFAOYSA-N
Molecular Weight 664.210 g/mol
SMILES C(CC(O)=O)C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=O