| SpectraBase Spectrum ID |
5w7WKQP2XRz |
| Name |
2'-Chloro-4-fluoro-N-piperonylthiocarbanilide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.060504798 u |
| Formula |
C21H16ClFN2O2S |
| InChI |
InChI=1S/C21H16ClFN2O2S/c22-17-3-1-2-4-18(17)24-21(28)25(16-8-6-15(23)7-9-16)12-14-5-10-19-20(11-14)27-13-26-19/h1-11H,12-13H2,(H,24,28) |
| InChIKey |
ULEVPNIZYXKOCI-UHFFFAOYSA-N |
| Molecular Weight |
414.882 g/mol |
| SMILES |
N(C1=C(C=CC=C1)Cl)C(N(CC=1C=C2OCOC2=CC1)C=1C=CC(=CC1)F)=S |
| Spectrum/Structure Validation Score (Raman) |
0.867817 |
