| SpectraBase Spectrum ID |
5NO6y5kUk8N |
| Name |
2-methoxy-4-((2R,3R,4S)-4-(4-methoxyphenyl)-1,3-dimethyl-1,2,3,4-tetrahydroquinolin-2-yl)phenol |
| Appearance |
Pale yellow gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.199093730 u |
| Formula |
C25H27NO3 |
| InChI |
InChI=1S/C25H27NO3/c1-16-24(17-9-12-19(28-3)13-10-17)20-7-5-6-8-21(20)26(2)25(16)18-11-14-22(27)23(15-18)29-4/h5-16,24-25,27H,1-4H3/t16-,24+,25-/m1/s1 |
| InChIKey |
MOWLFIFJPBGECV-VFRFXQOFSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201800677 |
| Molecular Weight |
389.495 g/mol |
| Optical Rotation |
[a]D(RT) = -20.4 (c = 1.0, CH2Cl2) |
| SMILES |
OC1=C(OC)C=C(C=C1)[C@@]1(N(C2=C([C@@]([C@]1(C)[H])(C1=CC=C(C=C1)OC)[H])C=CC=C2)C)[H] |
| SPLASH |
splash10-000i-0059000000-2562916daf1211ef53a6 |
| Sample Comments |
94% ee |
| Source of Spectrum |
QE-24-SM12-9b (DOI: 10.1002/chem.201800677) |
| Wiley ID |
1901523 |
