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trans-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-benzo[h]chromen-3-amine
SpectraBase Compound ID 6JjR8rjMrtS
InChI InChI=1S/C19H14F3NO/c20-14-9-16(22)15(21)8-13(14)19-17(23)7-11-6-5-10-3-1-2-4-12(10)18(11)24-19/h1-6,8-9,17,19H,7,23H2/t17-,19+/m0/s1
InChIKey NXVKMXJDRKIFDM-PKOBYXMFSA-N
Mol Weight 329.32 g/mol
Molecular Formula C19H14F3NO
Exact Mass 329.102749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3RyNew2eep
Name trans-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-benzo[h]chromen-3-amine
Appearance White solid
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Formula C19H14F3NO
InChI InChI=1S/C19H14F3NO/c20-14-9-16(22)15(21)8-13(14)19-17(23)7-11-6-5-10-3-1-2-4-12(10)18(11)24-19/h1-6,8-9,17,19H,7,23H2/t17-,19+/m0/s1
InChIKey NXVKMXJDRKIFDM-PKOBYXMFSA-N
Instrument Name Waters GCT Premier
Ionization Type EI positive ion
Literature Reference DOI 10.1002/cjoc.202000342
Molecular Weight 329.322 g/mol
Reported Formula C19H14F3NO
SMILES N[C@@]1([C@@](c2cc(c(cc2F)F)F)(Oc2c(C1)ccc1c2cccc1)[H])[H]
SPLASH splash10-0229-0902000000-59010b492979584057d4
Source of Spectrum CJC-39-SM40-17a
Wiley ID 1856194