| SpectraBase Spectrum ID |
Fu5aUdsFuAu |
| Name |
2-Chlorodithio-5-(trifluoromethyl)carbanilic acid, p-chlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.942731499 u |
| Formula |
C14H8Cl2F3NS2 |
| InChI |
InChI=1S/C14H8Cl2F3NS2/c15-9-2-4-10(5-3-9)22-13(21)20-12-7-8(14(17,18)19)1-6-11(12)16/h1-7H,(H,20,21) |
| InChIKey |
VRCWHRUVMVBIPB-UHFFFAOYSA-N |
| Molecular Weight |
382.246 g/mol |
| SMILES |
N(C1=C(C=CC(=C1)C(F)(F)F)Cl)C(SC=1C=CC(=CC1)Cl)=S |
| Spectrum/Structure Validation Score (Raman) |
0.875253 |
