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Flucythrinate

View entire compound with spectra: 1 NMR, 1 FTIR, and 5 MS (GC)

Flucythrinate
SpectraBase Compound ID 2TLboGYzdcK
InChI InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3
InChIKey GBIHOLCMZGAKNG-UHFFFAOYSA-N
Mol Weight 451.47 g/mol
Molecular Formula C26H23F2NO4
Exact Mass 451.159515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2tEAgbLWud3
Name Flucythrinate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.159514547 u
Formula C26H23F2NO4
InChI InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3
InChIKey GBIHOLCMZGAKNG-UHFFFAOYSA-N
Molecular Weight 451.470 g/mol
SMILES CC(C)C(C(=O)OC(C#N)C1=CC=CC(OC=2C=CC=CC2)=C1)C1=CC=C(OC(F)F)C=C1