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trans-6-(3,4-dimethoxyphenyl)-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromene-3-amine
SpectraBase Compound ID DCHooTqT8nc
InChI InChI=1S/C23H20F3NO3/c1-28-21-6-4-13(9-22(21)29-2)12-3-5-20-14(7-12)8-19(27)23(30-20)15-10-17(25)18(26)11-16(15)24/h3-7,9-11,19,23H,8,27H2,1-2H3/t19-,23+/m0/s1
InChIKey DORQTWDBIFDJEV-WMZHIEFXSA-N
Mol Weight 415.41 g/mol
Molecular Formula C23H20F3NO3
Exact Mass 415.139528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4co2HoUOXI
Name trans-6-(3,4-dimethoxyphenyl)-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromene-3-amine
Appearance White solid
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Formula C23H20F3NO3
InChI InChI=1S/C23H20F3NO3/c1-28-21-6-4-13(9-22(21)29-2)12-3-5-20-14(7-12)8-19(27)23(30-20)15-10-17(25)18(26)11-16(15)24/h3-7,9-11,19,23H,8,27H2,1-2H3/t19-,23+/m0/s1
InChIKey DORQTWDBIFDJEV-WMZHIEFXSA-N
Instrument Name Waters GCT Premier
Ionization Type EI positive ion
Literature Reference DOI 10.1002/cjoc.202000342
Molecular Weight 415.412 g/mol
Reported Formula C23H20F3NO3
SMILES N[C@@]1([C@](Oc2ccc(cc2C1)-c1cc(c(cc1)OC)OC)(c1c(cc(c(c1)F)F)F)[H])[H]
SPLASH splash10-02t9-0690500000-70a3971792cbcc3d71a8
Source of Spectrum CJC-39-SM71-31j
Wiley ID 1856215