| SpectraBase Compound ID | CrEJckuxzYC |
|---|---|
| InChI | InChI=1S/C17H36S2/c1-5-6-7-8-9-10-11-12-13-14-15-17(19-4)16(2)18-3/h16-17H,5-15H2,1-4H3 |
| InChIKey | PRGYDBRJUNDAJM-UHFFFAOYSA-N |
| Mol Weight | 304.6 g/mol |
| Molecular Formula | C17H36S2 |
| Exact Mass | 304.225844 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6VkDnc3usvm |
|---|---|
| Name | 2,3-bis(Methylthio)pentadecane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.225843507 u |
| Formula | C17H36S2 |
| InChI | InChI=1S/C17H36S2/c1-5-6-7-8-9-10-11-12-13-14-15-17(19-4)16(2)18-3/h16-17H,5-15H2,1-4H3 |
| InChIKey | PRGYDBRJUNDAJM-UHFFFAOYSA-N |
| SMILES | C(CCCCCCCCCC(C(SC)C)SC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867559 |