| SpectraBase Compound ID | Km4oL5qIgis |
|---|---|
| InChI | InChI=1S/C9H18S3/c1-7(2)10-8(3,4)12-9(5,6)11-7/h1-6H3 |
| InChIKey | NBNWHQAWKFYFKI-UHFFFAOYSA-N |
| Mol Weight | 222.42 g/mol |
| Molecular Formula | C9H18S3 |
| Exact Mass | 222.057064 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1SjLANvwds |
|---|---|
| Name | Trithioacetone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.057064102 u |
| Formula | C9H18S3 |
| InChI | InChI=1S/C9H18S3/c1-7(2)10-8(3,4)12-9(5,6)11-7/h1-6H3 |
| InChIKey | NBNWHQAWKFYFKI-UHFFFAOYSA-N |
| Molecular Weight | 222.423 g/mol |
| SMILES | C1(SC(SC(S1)(C)C)(C)C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.97815 |