| SpectraBase Spectrum ID |
2u0NYPNmhY |
| Name |
1-(5-Amino-alpha,alpha,alpha-trifluoro-m-tolyl)-3-methyl-2-thiourea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.054752997 u |
| Formula |
C9H10F3N3S |
| InChI |
InChI=1S/C9H10F3N3S/c1-14-8(16)15-7-3-5(9(10,11)12)2-6(13)4-7/h2-4H,13H2,1H3,(H2,14,15,16) |
| InChIKey |
NTKATQJOIGVNMT-UHFFFAOYSA-N |
| Molecular Weight |
249.255 g/mol |
| SMILES |
C(F)(F)(F)C=1C=C(C=C(C1)NC(NC)=S)N |
| Spectrum/Structure Validation Score (Raman) |
0.939909 |
