| SpectraBase Spectrum ID |
LUPA8iww2aB |
| Name |
(2S)-2-[[(1S)-1,2-bis(3,4-dimethoxyphenyl)ethyl]amino]-2-phenyl-ethanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.220223097 u |
| Formula |
C26H31NO5 |
| InChI |
InChI=1S/C26H31NO5/c1-29-23-12-10-18(15-25(23)31-3)14-21(20-11-13-24(30-2)26(16-20)32-4)27-22(17-28)19-8-6-5-7-9-19/h5-13,15-16,21-22,27-28H,14,17H2,1-4H3/t21-,22+/m0/s1 |
| InChIKey |
LMAQLMLYPUPRJT-FCHUYYIVSA-N |
| Molecular Weight |
437.536 g/mol |
| SMILES |
[C@](N[C@@](C1=CC=CC=C1)(CO)[H])(C=1C=C(OC)C(=CC1)OC)(CC=1C=C(OC)C(=CC1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973542 |
![(2S)-2-[[(1S)-1,2-bis(3,4-dimethoxyphenyl)ethyl]amino]-2-phenyl-ethanol](/api/spectrum/LUPA8iww2aB/structure.png?h=300&w=458 "(2S)-2-[[(1S)-1,2-bis(3,4-dimethoxyphenyl)ethyl]amino]-2-phenyl-ethanol")
