| SpectraBase Compound ID | CFmBfaKZZul |
|---|---|
| InChI | InChI=1S/C17H36S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-2/h3-17H2,1-2H3 |
| InChIKey | QMJVEYVUEYCZJY-UHFFFAOYSA-N |
| Mol Weight | 272.5 g/mol |
| Molecular Formula | C17H36S |
| Exact Mass | 272.253772 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJD2l0DJHtV |
|---|---|
| Name | 1-(Methylthio)hexadecane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.253772333 u |
| Formula | C17H36S |
| InChI | InChI=1S/C17H36S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-2/h3-17H2,1-2H3 |
| InChIKey | QMJVEYVUEYCZJY-UHFFFAOYSA-N |
| Molecular Weight | 272.535 g/mol |
| SMILES | C(SC)CCCCCCCCCCCCCCC |