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

*Links on SpectraBase are not permalinks.

Cinmetacin, 2,2,3,3,3-pentafluoropropyl ester

View entire compound with spectra: 1 NMR

Cinmetacin, 2,2,3,3,3-pentafluoropropyl ester
SpectraBase Compound ID JRuS8Ku6PGF
InChI InChI=1S/C24H20F5NO4/c1-15-18(13-22(32)34-14-23(25,26)24(27,28)29)19-12-17(33-2)9-10-20(19)30(15)21(31)11-8-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3/b11-8-
InChIKey NXKIFLYLBVLLSR-FLIBITNWSA-N
Mol Weight 481.42 g/mol
Molecular Formula C24H20F5NO4
Exact Mass 481.131249 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 8gGTC45Eflt
Name Cinmetacin, 2,2,3,3,3-pentafluoropropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.131248939 u
Formula C24H20F5NO4
InChI InChI=1S/C24H20F5NO4/c1-15-18(13-22(32)34-14-23(25,26)24(27,28)29)19-12-17(33-2)9-10-20(19)30(15)21(31)11-8-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3/b11-8-
InChIKey NXKIFLYLBVLLSR-FLIBITNWSA-N
Molecular Weight 481.419 g/mol
SMILES C12=CC(OC)=CC=C2N(C(=O)\C=C/C2=CC=CC=C2)C(=C1CC(=O)OCC(F)(F)C(F)(F)F)C