| SpectraBase Compound ID | 89on3XHpojV |
|---|---|
| InChI | InChI=1S/C10H18OS2/c1-5-9(11)7(2)6-8(3)10(12)13-4/h7-8H,5-6H2,1-4H3 |
| InChIKey | OPNNAZUBNKMXDI-UHFFFAOYSA-N |
| Mol Weight | 218.37 g/mol |
| Molecular Formula | C10H18OS2 |
| Exact Mass | 218.079908 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GtInKTLqarT |
|---|---|
| Name | Methyl 2,4-dimethyl-5-oxoheptanedithioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.079907547 u |
| Formula | C10H18OS2 |
| InChI | InChI=1S/C10H18OS2/c1-5-9(11)7(2)6-8(3)10(12)13-4/h7-8H,5-6H2,1-4H3 |
| InChIKey | OPNNAZUBNKMXDI-UHFFFAOYSA-N |
| Molecular Weight | 218.373 g/mol |
| SMILES | C(C(CC(C(=O)CC)C)C)(=S)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.827791 |