| SpectraBase Spectrum ID |
95hEXoaPWb9 |
| Name |
(3S,4R)-1-Methyl-3-(phenylmethyl)-4-piperidinamine, N-acetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.173213335 u |
| Formula |
C15H22N2O |
| InChI |
InChI=1S/C15H22N2O/c1-12(18)16-15-8-9-17(2)11-14(15)10-13-6-4-3-5-7-13/h3-7,14-15H,8-11H2,1-2H3,(H,16,18)/t14-,15+/m0/s1 |
| InChIKey |
RVDBQJNBFYUZOW-LSDHHAIUSA-N |
| Molecular Weight |
246.354 g/mol |
| SMILES |
C1N(CC[C@]([C@]1(CC1=CC=CC=C1)[H])(NC(C)=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966246 |
