| SpectraBase Spectrum ID |
3yx4lZZSxQq |
| Name |
2-Bromo-5-fluoro-4-thiocyanatoaniline, N-acetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.936825157 u |
| Formula |
C9H6BrFN2OS |
| InChI |
InChI=1S/C9H6BrFN2OS/c1-5(14)13-8-3-7(11)9(15-4-12)2-6(8)10/h2-3H,1H3,(H,13,14) |
| InChIKey |
FFHGQATXWIWWFC-UHFFFAOYSA-N |
| Molecular Weight |
289.122 g/mol |
| SMILES |
C1(F)=C(C=C(C(=C1)NC(C)=O)Br)SC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960339 |
