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Fluorotebuquine
SpectraBase Compound ID 9M8y9sF25XR
InChI InChI=1S/C26H24Cl2FN3/c1-26(2,3)31-15-17-12-20(14-22(25(17)29)16-4-6-18(27)7-5-16)32-23-10-11-30-24-13-19(28)8-9-21(23)24/h4-14,31H,15H2,1-3H3,(H,30,32)
InChIKey IFNYEYANDSEUAB-UHFFFAOYSA-N
Mol Weight 468.4 g/mol
Molecular Formula C26H24Cl2FN3
Exact Mass 467.133131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2x08IqyukwX
Name Fluorotebuquine
Alternate Name(s) N-[3-[(tert-butylamino)methyl]-5-(4-chlorophenyl)-4-fluorophenyl]-7-chloro-4-quinolinamine N-[3-[(tert-butylamino)methyl]-5-(4-chlorophenyl)-4-fluorophenyl]-7-chloroquinolin-4-amine N-[3-[(tert-butylamino)methyl]-5-(4-chlorophenyl)-4-fluoro-phenyl]-7-chloro-quinolin-4-amine N-[3-[(tert-butylamino)methyl]-5-(4-chlorophenyl)-4-fluoranyl-phenyl]-7-chloranyl-quinolin-4-amine
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Formula C26H24Cl2FN3
InChI InChI=1S/C26H24Cl2FN3/c1-26(2,3)31-15-17-12-20(14-22(25(17)29)16-4-6-18(27)7-5-16)32-23-10-11-30-24-13-19(28)8-9-21(23)24/h4-14,31H,15H2,1-3H3,(H,30,32)
InChIKey IFNYEYANDSEUAB-UHFFFAOYSA-N
Molecular Weight 468.403 g/mol
SMILES N(Cc1c(c(cc(Nc2c3c(cc(cc3)Cl)ncc2)c1)-c1ccc(cc1)Cl)F)C(C)(C)C
SPLASH splash10-0udi-0204900000-b02d7511e25fe8164723
Source of Spectrum E1-40-447-7
Wiley ID 1599154