| SpectraBase Spectrum ID |
7jTeP6f7ajz |
| Name |
3-Chloro-2-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 |
243.987339857 u |
| Formula |
C9H6ClFN2OS |
| InChI |
InChI=1S/C9H6ClFN2OS/c1-5(14)13-6-2-3-7(15-4-12)8(10)9(6)11/h2-3H,1H3,(H,13,14) |
| InChIKey |
FWEWJFONKIFWJF-UHFFFAOYSA-N |
| Molecular Weight |
244.671 g/mol |
| SMILES |
C1(F)=C(C(=CC=C1NC(C)=O)SC#N)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813784 |
