| SpectraBase Compound ID | 72nbzJwF5Gy |
|---|---|
| InChI | InChI=1S/C16H34S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h16-17H,3-15H2,1-2H3 |
| InChIKey | JEZYPUQOMROVOQ-UHFFFAOYSA-N |
| Mol Weight | 258.5 g/mol |
| Molecular Formula | C16H34S |
| Exact Mass | 258.238122 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LhWeroB2d2b |
|---|---|
| Name | 2-Hexadecanethiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.238122269 u |
| Formula | C16H34S |
| InChI | InChI=1S/C16H34S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h16-17H,3-15H2,1-2H3 |
| InChIKey | JEZYPUQOMROVOQ-UHFFFAOYSA-N |
| Molecular Weight | 258.508 g/mol |
| SMILES | C(CCCCCCCCCCCC(S)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924369 |