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Dehydroxytebuquine
SpectraBase Compound ID CmUwAEeEHRI
InChI InChI=1S/C26H25Cl2N3/c1-26(2,3)30-16-17-12-19(18-4-6-20(27)7-5-18)14-22(13-17)31-24-10-11-29-25-15-21(28)8-9-23(24)25/h4-15,30H,16H2,1-3H3,(H,29,31)
InChIKey HXDBUCARQYSXML-UHFFFAOYSA-N
Mol Weight 450.41 g/mol
Molecular Formula C26H25Cl2N3
Exact Mass 449.142553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCPQaUGVkCf
Name Dehydroxytebuquine
Alternate Name(s) N-[3-[(tert-butylamino)methyl]-5-(4-chlorophenyl)phenyl]-7-chloro-4-quinolinamine N-[3-[(tert-butylamino)methyl]-5-(4-chlorophenyl)phenyl]-7-chloroquinolin-4-amine N-[3-[(tert-butylamino)methyl]-5-(4-chlorophenyl)phenyl]-7-chloro-quinolin-4-amine N-[3-[(tert-butylamino)methyl]-5-(4-chlorophenyl)phenyl]-7-chloranyl-quinolin-4-amine
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Formula C26H25Cl2N3
InChI InChI=1S/C26H25Cl2N3/c1-26(2,3)30-16-17-12-19(18-4-6-20(27)7-5-18)14-22(13-17)31-24-10-11-29-25-15-21(28)8-9-23(24)25/h4-15,30H,16H2,1-3H3,(H,29,31)
InChIKey HXDBUCARQYSXML-UHFFFAOYSA-N
Molecular Weight 450.413 g/mol
SMILES N(c1c2c(cc(cc2)Cl)ncc1)c1cc(cc(CNC(C)(C)C)c1)-c1ccc(cc1)Cl
SPLASH splash10-0019-0001900000-4ae25da15a5c05b76852
Source of Spectrum E1-40-447-7
Wiley ID 1599147