| SpectraBase Spectrum ID |
EEbuSgJhhMD |
| Name |
2-(3-Bromophenyl)-2,3-dihydro-1H-perimidine, N,N-diacetyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.047340793 u |
| Formula |
C21H17BrN2O2 |
| InChI |
InChI=1S/C21H17BrN2O2/c1-13(25)23-18-10-4-6-15-7-5-11-19(20(15)18)24(14(2)26)21(23)16-8-3-9-17(22)12-16/h3-12,21H,1-2H3 |
| InChIKey |
MTSFLKLQTLSYNO-UHFFFAOYSA-N |
| Molecular Weight |
409.283 g/mol |
| SMILES |
CC(=O)N1C2=C3C(=CC=C2)C=CC=C3N(C(C)=O)C1C1=CC=CC(Br)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922494 |
