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trans-6-(tetrahydro-2H-pyran-4-yl)-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-benzo[h]chromen-3-amine
SpectraBase Compound ID 1UhZkPWw50g
InChI InChI=1S/C24H22F3NO2/c25-19-12-21(27)20(26)11-18(19)24-22(28)10-14-9-17(13-5-7-29-8-6-13)15-3-1-2-4-16(15)23(14)30-24/h1-4,9,11-13,22,24H,5-8,10,28H2/t22-,24+/m0/s1
InChIKey HSROTUZIJFJGFH-LADGPHEKSA-N
Mol Weight 413.44 g/mol
Molecular Formula C24H22F3NO2
Exact Mass 413.160263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vWMwBU9buZ
Name trans-6-(tetrahydro-2H-pyran-4-yl)-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-benzo[h]chromen-3-amine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22F3NO2
InChI InChI=1S/C24H22F3NO2/c25-19-12-21(27)20(26)11-18(19)24-22(28)10-14-9-17(13-5-7-29-8-6-13)15-3-1-2-4-16(15)23(14)30-24/h1-4,9,11-13,22,24H,5-8,10,28H2/t22-,24+/m0/s1
InChIKey HSROTUZIJFJGFH-LADGPHEKSA-N
Instrument Name Waters GCT Premier
Ionization Type EI positive ion
Literature Reference DOI 10.1002/cjoc.202000342
Molecular Weight 413.440 g/mol
Reported Formula C24H22F3NO2
SMILES N[C@@]1([C@@](c2cc(c(cc2F)F)F)(Oc2c(C1)cc(c1c2cccc1)C1CCOCC1)[H])[H]
SPLASH splash10-03k9-0931200000-2ad54d5bc8c1b6b67702
Source of Spectrum CJC-39-SM47-17f
Wiley ID 1856199