| SpectraBase Compound ID | 7x63A7Nd1xm |
|---|---|
| InChI | InChI=1S/C14H28S2/c1-3-5-12-15-14(16-13-6-4-2)10-8-7-9-11-14/h3-13H2,1-2H3 |
| InChIKey | HCPHHKRDVZWETN-UHFFFAOYSA-N |
| Mol Weight | 260.5 g/mol |
| Molecular Formula | C14H28S2 |
| Exact Mass | 260.163243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B7mXfn3DsjT |
|---|---|
| Name | 1,1-bis(Butylsulfanyl)cyclohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.163243250 u |
| Formula | C14H28S2 |
| InChI | InChI=1S/C14H28S2/c1-3-5-12-15-14(16-13-6-4-2)10-8-7-9-11-14/h3-13H2,1-2H3 |
| InChIKey | HCPHHKRDVZWETN-UHFFFAOYSA-N |
| Molecular Weight | 260.498 g/mol |
| SMILES | C1(SCCCC)(SCCCC)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900297 |