| SpectraBase Spectrum ID |
EtiiWs2uFkd |
| Name |
3C-fe N,N-bis(2-Chlorobenzyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
505.158677390 u |
| Formula |
C27H30Cl2FNO3 |
| InChI |
InChI=1S/C27H30Cl2FNO3/c1-19(14-20-15-25(32-2)27(34-13-12-30)26(16-20)33-3)31(17-21-8-4-6-10-23(21)28)18-22-9-5-7-11-24(22)29/h4-11,15-16,19H,12-14,17-18H2,1-3H3 |
| InChIKey |
OTYWNCUJRKXKJX-UHFFFAOYSA-N |
| Molecular Weight |
506.445 g/mol |
| SMILES |
C=1(C(=CC(=CC1OC)CC(N(CC1=C(C=CC=C1)Cl)CC=1C(=CC=CC1)Cl)C)OC)OCCF |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814158 |
