| SpectraBase Compound ID | EQqHB7KXqN7 |
|---|---|
| InChI | InChI=1S/C12H20N2S2/c1-10(2)6-5-7-11(3)8-9-13-14-12(15)16-4/h6,8-9H,5,7H2,1-4H3,(H,14,15)/b11-8+,13-9+ |
| InChIKey | NPDFSQROEUZKLR-BLTLMDCKSA-N |
| Mol Weight | 256.43 g/mol |
| Molecular Formula | C12H20N2S2 |
| Exact Mass | 256.106791 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3Y1SSa99lto |
|---|---|
| Name | S-Methyl 3,7-dimethylocta-2,6-dienylidenehydrazinecarbodithioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H20N2S2 |
| InChI | InChI=1S/C12H20N2S2/c1-10(2)6-5-7-11(3)8-9-13-14-12(15)16-4/h6,8-9H,5,7H2,1-4H3,(H,14,15)/b11-8+,13-9+ |
| InChIKey | NPDFSQROEUZKLR-BLTLMDCKSA-N |
| SMILES | C(=S)(N\N=C\C=C\(CCC=C(C)C)C)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.882478 |