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(2R,4S)-2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-methyl-1,2,3,4-tetrahydroquinoline
SpectraBase Compound ID JJo0iMyIypp
InChI InChI=1S/C23H22FNO/c1-25-22-6-4-3-5-20(22)21(16-9-13-19(26-2)14-10-16)15-23(25)17-7-11-18(24)12-8-17/h3-14,21,23H,15H2,1-2H3/t21-,23+/m0/s1
InChIKey VYZXSFKNMAQPDL-JTHBVZDNSA-N
Mol Weight 347.43 g/mol
Molecular Formula C23H22FNO
Exact Mass 347.168542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2PhEdY3s
Name (2R,4S)-2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-methyl-1,2,3,4-tetrahydroquinoline
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.168542494 u
Formula C23H22FNO
InChI InChI=1S/C23H22FNO/c1-25-22-6-4-3-5-20(22)21(16-9-13-19(26-2)14-10-16)15-23(25)17-7-11-18(24)12-8-17/h3-14,21,23H,15H2,1-2H3/t21-,23+/m0/s1
InChIKey VYZXSFKNMAQPDL-JTHBVZDNSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800677
Molecular Weight 347.433 g/mol
Optical Rotation [a]D(RT) = +78.8 (c = 1.0, CH2Cl2)
Quality 46
SMILES C1(F)=CC=C(C=C1)[C@@]1(N(C2=C([C@@](C1)(C1=CC=C(C=C1)OC)[H])C=CC=C2)C)[H]
SPLASH splash10-000b-0259000000-27d7d45223e2e3fad899
Sample Comments 96% ee
Source of Spectrum QE-24-SM7-3k (DOI: 10.1002/chem.201800677)
Wiley ID 1901511