| SpectraBase Spectrum ID |
AVOBR7U241W |
| Name |
1-(5-Nitro-3-thenoyl)-3-(alpha,alpha,alpha-trifluoro-o-tolyl)urea |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.018761409 u |
| Formula |
C13H8F3N3O4S |
| InChI |
InChI=1S/C13H8F3N3O4S/c14-13(15,16)8-3-1-2-4-9(8)17-12(21)18-11(20)7-5-10(19(22)23)24-6-7/h1-6H,(H2,17,18,20,21) |
| InChIKey |
HZRIXRYJZQISBR-UHFFFAOYSA-N |
| Molecular Weight |
359.279 g/mol |
| SMILES |
N(C1=CC=CC=C1C(F)(F)F)C(NC(C=1C=C(SC1)N(=O)=O)=O)=O |
