| SpectraBase Spectrum ID |
DXPuRTs5aL0 |
| Name |
Benzamide, N-[[[3-bromo-4-(1-pyrrolidinyl)phenyl]amino]carbonyl]-2,6-dichloro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.980295165 u |
| Formula |
C18H16BrCl2N3O2 |
| InChI |
InChI=1S/C18H16BrCl2N3O2/c19-12-10-11(6-7-15(12)24-8-1-2-9-24)22-18(26)23-17(25)16-13(20)4-3-5-14(16)21/h3-7,10H,1-2,8-9H2,(H2,22,23,25,26) |
| InChIKey |
YYASXBGHEJYXEI-UHFFFAOYSA-N |
| Molecular Weight |
457.155 g/mol |
| SMILES |
N(C1=CC=C(C(=C1)Br)N1CCCC1)C(NC(C1=C(C=CC=C1Cl)Cl)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.785176 |
![Benzamide, N-[[[3-bromo-4-(1-pyrrolidinyl)phenyl]amino]carbonyl]-2,6-dichloro-](/api/spectrum/DXPuRTs5aL0/structure.png?h=300&w=458 "Benzamide, N-[[[3-bromo-4-(1-pyrrolidinyl)phenyl]amino]carbonyl]-2,6-dichloro-")
