| SpectraBase Spectrum ID |
sX5LIqH9An |
| Name |
Dimethyldithiocarbamic acid, ester with 2-mercaptocyclooctanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.090806583 u |
| Formula |
C11H19NOS2 |
| InChI |
InChI=1S/C11H19NOS2/c1-12(2)11(14)15-10-8-6-4-3-5-7-9(10)13/h10H,3-8H2,1-2H3 |
| InChIKey |
IGNVUAUFJQUTGC-UHFFFAOYSA-N |
| Molecular Weight |
245.399 g/mol |
| SMILES |
C1CCCCCC(C1=O)SC(N(C)C)=S |
| Spectrum/Structure Validation Score (Raman) |
0.960452 |
