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(2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1,3-dimethyl-1,2,3,4-tetrahydroquinoline
SpectraBase Compound ID 3qGEfMliktn
InChI InChI=1S/C25H27NO2/c1-17-24(18-9-13-20(27-3)14-10-18)22-7-5-6-8-23(22)26(2)25(17)19-11-15-21(28-4)16-12-19/h5-17,24-25H,1-4H3/t17-,24+,25-/m1/s1
InChIKey WDGRCPHAXTVANG-HCOMASKESA-N
Mol Weight 373.5 g/mol
Molecular Formula C25H27NO2
Exact Mass 373.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCDkF2AKPNb
Name (2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1,3-dimethyl-1,2,3,4-tetrahydroquinoline
Appearance White solid
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Exact Mass 373.204179111 u
Formula C25H27NO2
InChI InChI=1S/C25H27NO2/c1-17-24(18-9-13-20(27-3)14-10-18)22-7-5-6-8-23(22)26(2)25(17)19-11-15-21(28-4)16-12-19/h5-17,24-25H,1-4H3/t17-,24+,25-/m1/s1
InChIKey WDGRCPHAXTVANG-HCOMASKESA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800677
Molecular Weight 373.496 g/mol
Optical Rotation [a]D(RT) = -22.1 (c = 1.0, CH2Cl2)
SMILES COC1=CC=C(C=C1)[C@@]1(N(C2=C([C@@]([C@]1(C)[H])(C1=CC=C(OC)C=C1)[H])C=CC=C2)C)[H]
SPLASH splash10-00di-0049000000-42f93f0082d7c1399c61
Sample Comments 92% ee
Source of Spectrum QE-24-SM11-9a (DOI: 10.1002/chem.201800677)
Wiley ID 1901522