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Floctafenine acetate
SpectraBase Compound ID 4loadLsJ9M0
InChI InChI=1S/C22H19F3N2O5/c1-13(28)31-11-14(29)12-32-21(30)16-5-2-3-8-18(16)27-19-9-10-26-20-15(19)6-4-7-17(20)22(23,24)25/h2-10,14,29H,11-12H2,1H3,(H,26,27)
InChIKey SPWRCFHCAFQDHB-UHFFFAOYSA-N
Mol Weight 448.4 g/mol
Molecular Formula C22H19F3N2O5
Exact Mass 448.124606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfiYcg6nX4T
Name Floctafenine acetate
Alternate Name(s) 3-(acetyloxy)-2-hydroxypropyl 2-{[8-(trifluoromethyl)-4-quinolinyl]amino}benzoate
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Formula C22H19F3N2O5
InChI InChI=1S/C22H19F3N2O5/c1-13(28)31-11-14(29)12-32-21(30)16-5-2-3-8-18(16)27-19-9-10-26-20-15(19)6-4-7-17(20)22(23,24)25/h2-10,14,29H,11-12H2,1H3,(H,26,27)
InChIKey SPWRCFHCAFQDHB-UHFFFAOYSA-N
Molecular Weight 448.398 g/mol
SMILES N(c1c2c(c(C(F)(F)F)ccc2)ncc1)c1c(C(OCC(COC(=O)C)O)=O)cccc1
SPLASH splash10-000i-0294100000-ae3abda27934083c7c8b
Source of Spectrum JZ-1992-852-0
Wiley ID 1387091