| SpectraBase Spectrum ID |
GGC3Gze23oe |
| Name |
(-)-(1S,2S)-N-benzyl-1-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-4-pentenylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
477.251523226 u |
| Formula |
C29H35NO5 |
| InChI |
InChI=1S/C29H35NO5/c1-7-11-23(22-17-26(33-4)29(35-6)27(18-22)34-5)28(30-19-20-12-9-8-10-13-20)21-14-15-24(31-2)25(16-21)32-3/h7-10,12-18,23,28,30H,1,11,19H2,2-6H3/t23-,28+/m0/s1 |
| InChIKey |
LJARWKXCORPDIV-NEKDWFFYSA-N |
| Molecular Weight |
477.601 g/mol |
| SMILES |
C=1([C@@]([C@@](C=2C=C(OC)C(=CC2)OC)(NCC=2C=CC=CC2)[H])(CC=C)[H])C=C(OC)C(=C(C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80714 |
