| SpectraBase Spectrum ID |
Is8lhXRdY2d |
| Name |
(2S,3R,4S)-N-Benzyl-3-hydroxy-4-isopripenyl-2-phenylpiperidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.193614428 u |
| Formula |
C21H25NO |
| InChI |
InChI=1S/C21H25NO/c1-16(2)19-13-14-22(15-17-9-5-3-6-10-17)20(21(19)23)18-11-7-4-8-12-18/h3-12,19-21,23H,1,13-15H2,2H3/t19-,20?,21+/m0/s1 |
| InChIKey |
DDLJNBFGZUJROB-SIGULFFNSA-N |
| SMILES |
C1(N(CC[C@]([C@]1(O)[H])(C(=C)C)[H])CC1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860849 |
