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(2R,4S)-4-(4-methoxyphenyl)-1-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline
SpectraBase Compound ID K0KkeVcxfaj
InChI InChI=1S/C23H23NO/c1-24-22-11-7-6-10-20(22)21(17-12-14-19(25-2)15-13-17)16-23(24)18-8-4-3-5-9-18/h3-15,21,23H,16H2,1-2H3/t21-,23+/m0/s1
InChIKey JWEIXJXGJAWIMX-JTHBVZDNSA-N
Mol Weight 329.44 g/mol
Molecular Formula C23H23NO
Exact Mass 329.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVBuUZZJdNp
Name (2R,4S)-4-(4-methoxyphenyl)-1-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline
Appearance Gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.177964364 u
Formula C23H23NO
InChI InChI=1S/C23H23NO/c1-24-22-11-7-6-10-20(22)21(17-12-14-19(25-2)15-13-17)16-23(24)18-8-4-3-5-9-18/h3-15,21,23H,16H2,1-2H3/t21-,23+/m0/s1
InChIKey JWEIXJXGJAWIMX-JTHBVZDNSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800677
Molecular Weight 329.443 g/mol
Optical Rotation [a]D(RT) = +81.5 (c = 1.0, CH2Cl2)
SMILES COC1=CC=C(C=C1)[C@@]1(C[C@@](N(C2=C1C=CC=C2)C)(C1=CC=CC=C1)[H])[H]
SPLASH splash10-004i-0049000000-557e76f7bed107ff4594
Sample Comments 96% ee
Source of Spectrum QE-24-SM4-3a (DOI: 10.1002/chem.201800677)
Wiley ID 1901501