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

*Links on SpectraBase are not permalinks.

Adipic acid, 3-fluorophenyl heptadecyl ester

View entire compound with spectra: 1 NMR

Adipic acid, 3-fluorophenyl heptadecyl ester
SpectraBase Compound ID LcmanZvNaoB
InChI InChI=1S/C29H47FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-33-28(31)22-16-17-23-29(32)34-27-21-19-20-26(30)25-27/h19-21,25H,2-18,22-24H2,1H3
InChIKey PWQVPAHPRYHDHI-UHFFFAOYSA-N
Mol Weight 478.7 g/mol
Molecular Formula C29H47FO4
Exact Mass 478.345838 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 8zrEvb0A7cr
Name Adipic acid, 3-fluorophenyl heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.345838152 u
Formula C29H47FO4
InChI InChI=1S/C29H47FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-33-28(31)22-16-17-23-29(32)34-27-21-19-20-26(30)25-27/h19-21,25H,2-18,22-24H2,1H3
InChIKey PWQVPAHPRYHDHI-UHFFFAOYSA-N
Molecular Weight 478.689 g/mol
SMILES C(C(=O)OC1=CC(=CC=C1)F)CCCC(OCCCCCCCCCCCCCCCCC)=O