| SpectraBase Spectrum ID |
9NV4gROwYoA |
| Name |
Benzamide, N-(4-fluorophenyl)-2,6-difluoro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.055798370 u |
| Formula |
C13H8F3NO |
| InChI |
InChI=1S/C13H8F3NO/c14-8-4-6-9(7-5-8)17-13(18)12-10(15)2-1-3-11(12)16/h1-7H,(H,17,18) |
| InChIKey |
MFIQCQLLSWDESU-UHFFFAOYSA-N |
| Molecular Weight |
251.208 g/mol |
| SMILES |
C1=CC=C(C(=C1F)C(NC1=CC=C(C=C1)F)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965454 |
