| SpectraBase Compound ID | H6r2fb8pf9R |
|---|---|
| InChI | InChI=1S/C9H17NS2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,10,11) |
| InChIKey | BZBZEFITDXRNNJ-UHFFFAOYSA-N |
| Mol Weight | 203.36 g/mol |
| Molecular Formula | C9H17NS2 |
| Exact Mass | 203.080242 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2HoVTWqPq63 |
|---|---|
| Name | Dithiocyclohexanecarbamic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.080241899 u |
| Formula | C9H17NS2 |
| InChI | InChI=1S/C9H17NS2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,10,11) |
| InChIKey | BZBZEFITDXRNNJ-UHFFFAOYSA-N |
| Molecular Weight | 203.362 g/mol |
| SMILES | N(C1CCCCC1)C(=S)SCC |
| Spectrum/Structure Validation Score (Raman) | 0.806145 |