| SpectraBase Spectrum ID |
JfedZxJKruP |
| Name |
3-Nitro-5-(4-trifluoromethylphenylsulfanyl) phenylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.033683199 u |
| Formula |
C13H9F3N2O2S |
| InChI |
InChI=1S/C13H9F3N2O2S/c14-13(15,16)8-1-3-11(4-2-8)21-12-6-9(17)5-10(7-12)18(19)20/h1-7H,17H2 |
| InChIKey |
IBRIHJMZBFBFRB-UHFFFAOYSA-N |
| Molecular Weight |
314.282 g/mol |
| SMILES |
C1=C(C=CC(=C1)SC1=CC(=CC(=C1)N(=O)=O)N)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852823 |
