| SpectraBase Spectrum ID |
3b0LD8TiChS |
| Name |
Benzamide, N-(4-bromophenyl)-2,3,4-trifluoro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.966311337 u |
| Formula |
C13H7BrF3NO |
| InChI |
InChI=1S/C13H7BrF3NO/c14-7-1-3-8(4-2-7)18-13(19)9-5-6-10(15)12(17)11(9)16/h1-6H,(H,18,19) |
| InChIKey |
QVVOZMRHZFWWRH-UHFFFAOYSA-N |
| Molecular Weight |
330.104 g/mol |
| SMILES |
C1(=C(C(=C(C=C1)C(NC1=CC=C(C=C1)Br)=O)F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956706 |
