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trans-6-bromo-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromene-3-amine
SpectraBase Compound ID KMqNXcz5Hwb
InChI InChI=1S/C15H11BrF3NO/c16-8-1-2-14-7(3-8)4-13(20)15(21-14)9-5-11(18)12(19)6-10(9)17/h1-3,5-6,13,15H,4,20H2/t13-,15+/m0/s1
InChIKey BBZKNNNWZLUOBX-DZGCQCFKSA-N
Mol Weight 358.16 g/mol
Molecular Formula C15H11BrF3NO
Exact Mass 356.997611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGVtJqC9oxP
Name trans-6-bromo-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromene-3-amine
Appearance White solid
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Formula C15H11BrF3NO
InChI InChI=1S/C15H11BrF3NO/c16-8-1-2-14-7(3-8)4-13(20)15(21-14)9-5-11(18)12(19)6-10(9)17/h1-3,5-6,13,15H,4,20H2/t13-,15+/m0/s1
InChIKey BBZKNNNWZLUOBX-DZGCQCFKSA-N
Instrument Name Waters GCT Premier
Ionization Type EI positive ion
Literature Reference DOI 10.1002/cjoc.202000342
Molecular Weight 358.158 g/mol
Reported Formula C15H11BrF3NO
SMILES N[C@]1(Cc2c(ccc(c2)Br)O[C@@]1(c1c(cc(c(c1)F)F)F)[H])[H]
SPLASH splash10-03di-0942000000-0f22cc2add972fd2ab31
Source of Spectrum CJC-39-SM56-26
Wiley ID 1856205