| SpectraBase Spectrum ID |
L2EqHUTfTAH |
| Name |
Propanamide, 2,2-dimethyl-N-[2-(4-chlorophenylthio)-6-fluorobenzyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.085991272 u |
| Formula |
C18H19ClFNOS |
| InChI |
InChI=1S/C18H19ClFNOS/c1-18(2,3)17(22)21-11-14-15(20)5-4-6-16(14)23-13-9-7-12(19)8-10-13/h4-10H,11H2,1-3H3,(H,21,22) |
| InChIKey |
BGXCFPARONQLJI-UHFFFAOYSA-N |
| Molecular Weight |
351.867 g/mol |
| SMILES |
C1(=C(SC2=CC=C(C=C2)Cl)C=CC=C1F)CNC(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882528 |
![Propanamide, 2,2-dimethyl-N-[2-(4-chlorophenylthio)-6-fluorobenzyl]-](/api/spectrum/L2EqHUTfTAH/structure.png?h=300&w=458 "Propanamide, 2,2-dimethyl-N-[2-(4-chlorophenylthio)-6-fluorobenzyl]-")
