| SpectraBase Spectrum ID |
4w3blAYFzWQ |
| Name |
(1S,2S)-1,2-bis(3,4-Dimethoxyphenyl)-N-(phenylmethyl)-1-butanamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
435.240958543 u |
| Formula |
C27H33NO4 |
| InChI |
InChI=1S/C27H33NO4/c1-6-22(20-12-14-23(29-2)25(16-20)31-4)27(28-18-19-10-8-7-9-11-19)21-13-15-24(30-3)26(17-21)32-5/h7-17,22,27-28H,6,18H2,1-5H3/t22-,27+/m0/s1 |
| InChIKey |
MRXJIZAOHVSEJI-WXVAWEFUSA-N |
| Molecular Weight |
435.564 g/mol |
| SMILES |
[C@@](NCC=1C=CC=CC1)([C@@](CC)(C=1C=C(C(=CC1)OC)OC)[H])(C=1C=C(C(=CC1)OC)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966296 |
