| SpectraBase Spectrum ID |
5RpDNQ7AILC |
| Name |
N-(2,3-Dibromo-1-oxo-3-phenylpropyl)benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.931304661 u |
| Formula |
C16H13Br2NO2 |
| InChI |
InChI=1S/C16H13Br2NO2/c17-13(11-7-3-1-4-8-11)14(18)16(21)19-15(20)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20,21) |
| InChIKey |
KDDJKPKACBAOHH-UHFFFAOYSA-N |
| Molecular Weight |
411.093 g/mol |
| SMILES |
C(NC(=O)C1=CC=CC=C1)(C(C(C1=CC=CC=C1)Br)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943682 |
