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(2R,4S)-2-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-1-methyl-1,2,3,4-tetrahydroquinoline
SpectraBase Compound ID 5hnXTMDNpVc
InChI InChI=1S/C27H31NO/c1-27(2,3)21-14-10-20(11-15-21)26-18-24(19-12-16-22(29-5)17-13-19)23-8-6-7-9-25(23)28(26)4/h6-17,24,26H,18H2,1-5H3/t24-,26+/m0/s1
InChIKey MKPAHNTZBLLBIO-AZGAKELHSA-N
Mol Weight 385.55 g/mol
Molecular Formula C27H31NO
Exact Mass 385.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsNwfDjuZn4
Name (2R,4S)-2-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-1-methyl-1,2,3,4-tetrahydroquinoline
Appearance White solid
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Exact Mass 385.240564621 u
Formula C27H31NO
InChI InChI=1S/C27H31NO/c1-27(2,3)21-14-10-20(11-15-21)26-18-24(19-12-16-22(29-5)17-13-19)23-8-6-7-9-25(23)28(26)4/h6-17,24,26H,18H2,1-5H3/t24-,26+/m0/s1
InChIKey MKPAHNTZBLLBIO-AZGAKELHSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800677
Molecular Weight 385.551 g/mol
Optical Rotation [a]D(RT) = +38.9 (c = 1.0, CH2Cl2)
SMILES C(C1=CC=C(C=C1)[C@@]1(N(C2=C([C@@](C1)(C1=CC=C(C=C1)OC)[H])C=CC=C2)C)[H])(C)(C)C
SPLASH splash10-000i-0049000000-b3d017f8f4f1f242a700
Sample Comments 98% ee
Source of Spectrum QE-24-SM9-3r (DOI: 10.1002/chem.201800677)
Wiley ID 1901518