| 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 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
