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Trifluperidol trifluoroacetate

View entire compound with spectra: 1 NMR

Trifluperidol trifluoroacetate
SpectraBase Compound ID 54zgKO0ZVbv
InChI InChI=1S/C24H22F7NO3/c25-19-8-6-16(7-9-19)20(33)5-2-12-32-13-10-22(11-14-32,35-21(34)24(29,30)31)17-3-1-4-18(15-17)23(26,27)28/h1,3-4,6-9,15H,2,5,10-14H2
InChIKey NNAPNQVARORXRU-UHFFFAOYSA-N
Mol Weight 505.43 g/mol
Molecular Formula C24H22F7NO3
Exact Mass 505.148791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2P78mNKp0Kx
Name Trifluperidol trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 505.148790710 u
Formula C24H22F7NO3
InChI InChI=1S/C24H22F7NO3/c25-19-8-6-16(7-9-19)20(33)5-2-12-32-13-10-22(11-14-32,35-21(34)24(29,30)31)17-3-1-4-18(15-17)23(26,27)28/h1,3-4,6-9,15H,2,5,10-14H2
InChIKey NNAPNQVARORXRU-UHFFFAOYSA-N
Molecular Weight 505.433 g/mol
SMILES C1=C(C=CC(=C1)F)C(CCCN1CCC(CC1)(OC(C(F)(F)F)=O)C1=CC(=CC=C1)C(F)(F)F)=O