| SpectraBase Spectrum ID |
DtfAbZkzi9S |
| Name |
Dithio-p-fluorocarbanilic acid, p-chlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.984897505 u |
| Formula |
C13H9ClFNS2 |
| InChI |
InChI=1S/C13H9ClFNS2/c14-9-1-7-12(8-2-9)18-13(17)16-11-5-3-10(15)4-6-11/h1-8H,(H,16,17) |
| InChIKey |
NMNPNWZKRRYFCV-UHFFFAOYSA-N |
| Molecular Weight |
297.793 g/mol |
| SMILES |
N(C1=CC=C(C=C1)F)C(SC=1C=CC(=CC1)Cl)=S |
| Spectrum/Structure Validation Score (Raman) |
0.963948 |
