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trans-6-methoxy-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-benzo[h]chromen-3-amine
SpectraBase Compound ID 8AzjkNt1Ml2
InChI InChI=1S/C20H16F3NO2/c1-25-18-7-10-6-17(24)20(13-8-15(22)16(23)9-14(13)21)26-19(10)12-5-3-2-4-11(12)18/h2-5,7-9,17,20H,6,24H2,1H3/t17-,20+/m0/s1
InChIKey TYXRHIRSRQDTLK-FXAWDEMLSA-N
Mol Weight 359.35 g/mol
Molecular Formula C20H16F3NO2
Exact Mass 359.113313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVgX4ZtVuIZ
Name trans-6-methoxy-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-benzo[h]chromen-3-amine
Appearance White solid
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Formula C20H16F3NO2
InChI InChI=1S/C20H16F3NO2/c1-25-18-7-10-6-17(24)20(13-8-15(22)16(23)9-14(13)21)26-19(10)12-5-3-2-4-11(12)18/h2-5,7-9,17,20H,6,24H2,1H3/t17-,20+/m0/s1
InChIKey TYXRHIRSRQDTLK-FXAWDEMLSA-N
Instrument Name Waters GCT Premier
Ionization Type EI positive ion
Literature Reference DOI 10.1002/cjoc.202000342
Molecular Weight 359.348 g/mol
Reported Formula C20H16F3NO2
SMILES N[C@@]1([C@@](c2cc(c(cc2F)F)F)(Oc2c(C1)cc(c1c2cccc1)OC)[H])[H]
SPLASH splash10-05fr-0903000000-8cef4721b50f0e0e26b3
Source of Spectrum CJC-39-SM41-17b
Wiley ID 1856195