| SpectraBase Compound ID | C3yxljI52yc |
|---|---|
| InChI | InChI=1S/C21H44S/c1-17(2)11-8-12-18(3)13-9-14-19(4)15-10-16-20(5)21(6)22-7/h17-21H,8-16H2,1-7H3 |
| InChIKey | IHRIXAILESOGPH-UHFFFAOYSA-N |
| Mol Weight | 328.6 g/mol |
| Molecular Formula | C21H44S |
| Exact Mass | 328.316373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ba2LV37iI68 |
|---|---|
| Name | 2-Methylthio-3,7,11,15-tetramethylhexadecane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.316372591 u |
| Formula | C21H44S |
| InChI | InChI=1S/C21H44S/c1-17(2)11-8-12-18(3)13-9-14-19(4)15-10-16-20(5)21(6)22-7/h17-21H,8-16H2,1-7H3 |
| InChIKey | IHRIXAILESOGPH-UHFFFAOYSA-N |
| SMILES | C(CCC(CCCC(CCCC(C)C(SC)C)C)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970726 |