| SpectraBase Spectrum ID |
6SmhYVZhDDA |
| Name |
6-Bromo-N-(4-fluorophenyl)-3-oxochromeno[2,3-C]pyrazole-2(3H)-carbothioamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.958288877 u |
| Formula |
C17H9BrFN3O2S |
| InChI |
InChI=1S/C17H9BrFN3O2S/c18-10-1-6-14-9(7-10)8-13-15(24-14)21-22(16(13)23)17(25)20-12-4-2-11(19)3-5-12/h1-8H,(H,20,25) |
| InChIKey |
IPTQSQGPPLEZJL-UHFFFAOYSA-N |
| Molecular Weight |
418.240 g/mol |
| SMILES |
C12=NN(C(C2=CC=2C=C(C=CC2O1)Br)=O)C(NC=1C=CC(=CC1)F)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809835 |
![6-Bromo-N-(4-fluorophenyl)-3-oxochromeno[2,3-c]pyrazole-2(3H)-carbothioamide](/api/spectrum/6SmhYVZhDDA/structure.png?h=300&w=458 "6-Bromo-N-(4-fluorophenyl)-3-oxochromeno[2,3-c]pyrazole-2(3H)-carbothioamide")
