| SpectraBase Spectrum ID |
9hVFG6jrwHU |
| Name |
(1R*,3S*)-3-(Benzylamino)-1-(2-bromophenyl)-3-phenyl-propan-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.088477331 u |
| Formula |
C22H22BrNO |
| InChI |
InChI=1S/C22H22BrNO/c23-20-14-8-7-13-19(20)22(25)15-21(18-11-5-2-6-12-18)24-16-17-9-3-1-4-10-17/h1-14,21-22,24-25H,15-16H2/t21-,22+/m0/s1 |
| InChIKey |
YQECTQOSDGJANG-FCHUYYIVSA-N |
| Molecular Weight |
396.328 g/mol |
| SMILES |
[C@@](NCC1=CC=CC=C1)(C[C@@](O)(C1=C(C=CC=C1)Br)[H])(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90297 |
