| SpectraBase Spectrum ID |
75etped8wfw |
| Name |
5-Chlorodithio-2-methylcarbanilic acid, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.166470082 u |
| Formula |
C20H32ClNS2 |
| InChI |
InChI=1S/C20H32ClNS2/c1-3-4-5-6-7-8-9-10-11-12-15-24-20(23)22-19-16-18(21)14-13-17(19)2/h13-14,16H,3-12,15H2,1-2H3,(H,22,23) |
| InChIKey |
UPZKCLJMZAJCMU-UHFFFAOYSA-N |
| Molecular Weight |
386.056 g/mol |
| SMILES |
N(C1=C(C=CC(=C1)Cl)C)C(SCCCCCCCCCCCC)=S |
| Spectrum/Structure Validation Score (Raman) |
0.914067 |
