| SpectraBase Spectrum ID |
IiZ1T1Ro6mi |
| Name |
2-Methoxyphenethylamine N,N-bis(4-bromobenzyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
487.014640364 u |
| Formula |
C23H23Br2NO |
| InChI |
InChI=1S/C23H23Br2NO/c1-27-23-5-3-2-4-20(23)14-15-26(16-18-6-10-21(24)11-7-18)17-19-8-12-22(25)13-9-19/h2-13H,14-17H2,1H3 |
| InChIKey |
AACBFHDDUIAYNO-UHFFFAOYSA-N |
| Molecular Weight |
489.251 g/mol |
| SMILES |
C(N(CC1=CC=C(C=C1)Br)CCC=1C(=CC=CC1)OC)C=1C=CC(=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809472 |