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(2R,4S)-4-(4-methoxyphenyl)-1-methyl-2-(naphthalen-2-yl)-1,2,3,4-tetrahydroquinoline
SpectraBase Compound ID BuLtM0kUSrs
InChI InChI=1S/C27H25NO/c1-28-26-10-6-5-9-24(26)25(20-13-15-23(29-2)16-14-20)18-27(28)22-12-11-19-7-3-4-8-21(19)17-22/h3-17,25,27H,18H2,1-2H3/t25-,27+/m0/s1
InChIKey OYKFZDQKDDHBNO-AHKZPQOWSA-N
Mol Weight 379.5 g/mol
Molecular Formula C27H25NO
Exact Mass 379.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3twyEuQufyU
Name (2R,4S)-4-(4-methoxyphenyl)-1-methyl-2-(naphthalen-2-yl)-1,2,3,4-tetrahydroquinoline
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25NO
InChI InChI=1S/C27H25NO/c1-28-26-10-6-5-9-24(26)25(20-13-15-23(29-2)16-14-20)18-27(28)22-12-11-19-7-3-4-8-21(19)17-22/h3-17,25,27H,18H2,1-2H3/t25-,27+/m0/s1
InChIKey OYKFZDQKDDHBNO-AHKZPQOWSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800677
Molecular Weight 379.503 g/mol
Optical Rotation [a]D(RT) = +23.7 (c = 1.0, CH2Cl2)
SMILES COC1=CC=C(C=C1)[C@@]1(C[C@@](N(C2=C1C=CC=C2)C)(C1=CC2=C(C=C1)C=CC=C2)[H])[H]
SPLASH splash10-004i-0049000000-b224d74c75442bdae4a7
Sample Comments 97% ee
Source of Spectrum QE-24-SM10-3s (DOI: 10.1002/chem.201800677)
Wiley ID 1901519