| SpectraBase Compound ID | AdkKkNte04W |
|---|---|
| InChI | InChI=1S/C12H26S3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3 |
| InChIKey | WDPLDGPFPCDNNE-UHFFFAOYSA-N |
| Mol Weight | 266.52 g/mol |
| Molecular Formula | C12H26S3 |
| Exact Mass | 266.119664 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 26ToYbcswaW |
|---|---|
| Name | 5,8,11-Trithiapentadecane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.119664359 u |
| Formula | C12H26S3 |
| InChI | InChI=1S/C12H26S3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3 |
| InChIKey | WDPLDGPFPCDNNE-UHFFFAOYSA-N |
| SMILES | C(SCCCC)CSCCSCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931003 |