| SpectraBase Spectrum ID |
Dxkr90FwnKN |
| Name |
Benzamide, 2-bromo-N-(2-bromobenzoyl)-N-hexyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.993904918 u |
| Formula |
C20H21Br2NO2 |
| InChI |
InChI=1S/C20H21Br2NO2/c1-2-3-4-9-14-23(19(24)15-10-5-7-12-17(15)21)20(25)16-11-6-8-13-18(16)22/h5-8,10-13H,2-4,9,14H2,1H3 |
| InChIKey |
BNNSCAOPZBGLFL-UHFFFAOYSA-N |
| Molecular Weight |
467.201 g/mol |
| SMILES |
C1=CC=C(C(=C1)Br)C(N(CCCCCC)C(=O)C1=C(C=CC=C1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819653 |
