SpectraBase Spectrum ID |
CqyRj2YxAIZ |
Name |
(2R,3R,5S)-2-(3,4-Dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-3-piperidineamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
370.225642831 u |
Formula |
C22H30N2O3 |
InChI |
InChI=1S/C22H30N2O3/c1-15-11-18(23-14-17-7-5-6-8-19(17)25-2)22(24-13-15)16-9-10-20(26-3)21(12-16)27-4/h5-10,12,15,18,22-24H,11,13-14H2,1-4H3/t15-,18+,22+/m0/s1 |
InChIKey |
FOAFKRKBNPQHFB-QXATTWAWSA-N |
Molecular Weight |
370.493 g/mol |
SMILES |
[C@]1(NC[C@](C[C@]1(NCC=1C(OC)=CC=CC1)[H])(C)[H])(C=1C=C(OC)C(=CC1)OC)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929604 |