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

*Links on SpectraBase are not permalinks.

Adipic acid, 2-fluorophenyl hexadecyl ester

View entire compound with spectra: 1 NMR

Adipic acid, 2-fluorophenyl hexadecyl ester
SpectraBase Compound ID I4iDVR6r5Ix
InChI InChI=1S/C28H45FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-32-27(30)22-17-18-23-28(31)33-26-21-16-15-20-25(26)29/h15-16,20-21H,2-14,17-19,22-24H2,1H3
InChIKey QAGCJUFLPGZPFW-UHFFFAOYSA-N
Mol Weight 464.7 g/mol
Molecular Formula C28H45FO4
Exact Mass 464.330188 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 LN3J3pL5sCG
Name Adipic acid, 2-fluorophenyl hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.330188088 u
Formula C28H45FO4
InChI InChI=1S/C28H45FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-32-27(30)22-17-18-23-28(31)33-26-21-16-15-20-25(26)29/h15-16,20-21H,2-14,17-19,22-24H2,1H3
InChIKey QAGCJUFLPGZPFW-UHFFFAOYSA-N
Molecular Weight 464.662 g/mol
SMILES C(OC(CCCCC(=O)OC1=C(C=CC=C1)F)=O)CCCCCCCCCCCCCCC