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trans-6-(2,4-difluorophenyl)-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromene-3-amine
SpectraBase Compound ID JEZsPzdANIz
InChI InChI=1S/C21H14F5NO/c22-12-2-3-13(15(23)7-12)10-1-4-20-11(5-10)6-19(27)21(28-20)14-8-17(25)18(26)9-16(14)24/h1-5,7-9,19,21H,6,27H2/t19-,21+/m0/s1
InChIKey VBIOXRAYSZHWAB-PZJWPPBQSA-N
Mol Weight 391.34 g/mol
Molecular Formula C21H14F5NO
Exact Mass 391.099555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tSuymoJi82
Name trans-6-(2,4-difluorophenyl)-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromene-3-amine
Appearance White solid
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Formula C21H14F5NO
InChI InChI=1S/C21H14F5NO/c22-12-2-3-13(15(23)7-12)10-1-4-20-11(5-10)6-19(27)21(28-20)14-8-17(25)18(26)9-16(14)24/h1-5,7-9,19,21H,6,27H2/t19-,21+/m0/s1
InChIKey VBIOXRAYSZHWAB-PZJWPPBQSA-N
Instrument Name Waters GCT Premier
Ionization Type EI positive ion
Literature Reference DOI 10.1002/cjoc.202000342
Molecular Weight 391.341 g/mol
Reported Formula C21H14F5NO
SMILES N[C@@]1([C@](Oc2ccc(cc2C1)-c1c(cc(cc1)F)F)(c1c(cc(c(c1)F)F)F)[H])[H]
SPLASH splash10-01ow-0983000000-c16b9ab0e583c4d456f7
Source of Spectrum CJC-39-SM70-31i
Wiley ID 1856214