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trans-6-bromo-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-benzo[h]chromen-3-amine
SpectraBase Compound ID HTUjZgihqQK
InChI InChI=1S/C19H13BrF3NO/c20-13-5-9-6-17(24)19(12-7-15(22)16(23)8-14(12)21)25-18(9)11-4-2-1-3-10(11)13/h1-5,7-8,17,19H,6,24H2/t17-,19+/m0/s1
InChIKey WOKSNCUUQSHVCT-PKOBYXMFSA-N
Mol Weight 408.22 g/mol
Molecular Formula C19H13BrF3NO
Exact Mass 407.013262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdyhFjet1Pu
Name trans-6-bromo-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-benzo[h]chromen-3-amine
Appearance White solid
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Formula C19H13BrF3NO
InChI InChI=1S/C19H13BrF3NO/c20-13-5-9-6-17(24)19(12-7-15(22)16(23)8-14(12)21)25-18(9)11-4-2-1-3-10(11)13/h1-5,7-8,17,19H,6,24H2/t17-,19+/m0/s1
InChIKey WOKSNCUUQSHVCT-PKOBYXMFSA-N
Instrument Name Waters GCT Premier
Ionization Type EI positive ion
Literature Reference DOI 10.1002/cjoc.202000342
Molecular Weight 408.218 g/mol
Reported Formula C19H13BrF3NO
SMILES N[C@@]1([C@@](c2cc(c(cc2F)F)F)(Oc2c(C1)cc(c1c2cccc1)Br)[H])[H]
SPLASH splash10-03k9-0910100000-1d6a8b794631453fe0fc
Source of Spectrum CJC-39-SM43-17c
Wiley ID 1856196