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

*Links on SpectraBase are not permalinks.

Sebacic acid, ethyl 1-(pentafluorophenyl)ethyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, ethyl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID B0ClgjdZoyy
InChI InChI=1S/C20H25F5O4/c1-3-28-13(26)10-8-6-4-5-7-9-11-14(27)29-12(2)15-16(21)18(23)20(25)19(24)17(15)22/h12H,3-11H2,1-2H3
InChIKey SYVMGSZAWFILFZ-UHFFFAOYSA-N
Mol Weight 424.41 g/mol
Molecular Formula C20H25F5O4
Exact Mass 424.1673 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 sqaSd9yQRY
Name Sebacic acid, ethyl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.167300096 u
Formula C20H25F5O4
InChI InChI=1S/C20H25F5O4/c1-3-28-13(26)10-8-6-4-5-7-9-11-14(27)29-12(2)15-16(21)18(23)20(25)19(24)17(15)22/h12H,3-11H2,1-2H3
InChIKey SYVMGSZAWFILFZ-UHFFFAOYSA-N
Molecular Weight 424.408 g/mol
SMILES C(CCCCCCC(OCC)=O)CC(OC(C=1C(F)=C(C(=C(F)C1F)F)F)C)=O