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(2R,4S)-1-methyl-2-phenyl-4-(p-tolyl)-1,2,3,4-tetrahydroquinoline
SpectraBase Compound ID FxxTOg7VBxz
InChI InChI=1S/C23H23N/c1-17-12-14-18(15-13-17)21-16-23(19-8-4-3-5-9-19)24(2)22-11-7-6-10-20(21)22/h3-15,21,23H,16H2,1-2H3/t21-,23+/m0/s1
InChIKey IVYMEOPJSZZLAA-JTHBVZDNSA-N
Mol Weight 313.44 g/mol
Molecular Formula C23H23N
Exact Mass 313.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTxNTA4STil
Name (2R,4S)-1-methyl-2-phenyl-4-(p-tolyl)-1,2,3,4-tetrahydroquinoline
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.183049745 u
Formula C23H23N
InChI InChI=1S/C23H23N/c1-17-12-14-18(15-13-17)21-16-23(19-8-4-3-5-9-19)24(2)22-11-7-6-10-20(21)22/h3-15,21,23H,16H2,1-2H3/t21-,23+/m0/s1
InChIKey IVYMEOPJSZZLAA-JTHBVZDNSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800677
Optical Rotation [a]D(RT) = +70.4 (c = 1.0, CH2Cl2)
SMILES CN1[C@](C[C@](C2=C1C=CC=C2)(C1=CC=C(C=C1)C)[H])(C1=CC=CC=C1)[H]
SPLASH splash10-03di-0089000000-108dd4ef1ff132ca7402
Sample Comments 95% ee
Source of Spectrum QE-24-SM6-3h (DOI: 10.1002/chem.201800677)
Wiley ID 1901508