| SpectraBase Spectrum ID |
IsS4SKs8WLh |
| Name |
(1R,2S)-1,2-Diphenyl-2-[(1S,2S)-2-phenylcyclopropylamino]ethanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.177964364 u |
| Formula |
C23H23NO |
| InChI |
InChI=1S/C23H23NO/c25-23(19-14-8-3-9-15-19)22(18-12-6-2-7-13-18)24-21-16-20(21)17-10-4-1-5-11-17/h1-15,20-25H,16H2/t20-,21-,22-,23+/m0/s1 |
| InChIKey |
NDKWTLOMJDINMS-CWBXHPNXSA-N |
| Molecular Weight |
329.443 g/mol |
| SMILES |
[C@@]1([C@](C2=CC=CC=C2)(C1)[H])(N[C@]([C@@](C1=CC=CC=C1)(O)[H])(C1=CC=CC=C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98133 |