| SpectraBase Compound ID | CN7Kh9bgIhF |
|---|---|
| InChI | InChI=1S/C18H36OS2/c1-4-5-14-17(20-2)18(21-3)15-12-10-8-6-7-9-11-13-16-19/h16-18H,4-15H2,1-3H3 |
| InChIKey | QVOHRMUUSUFNDR-UHFFFAOYSA-N |
| Mol Weight | 332.6 g/mol |
| Molecular Formula | C18H36OS2 |
| Exact Mass | 332.220758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IuM8GGlVcY4 |
|---|---|
| Name | 11,12-bis(Methylthio)hexadecanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.220758126 u |
| Formula | C18H36OS2 |
| InChI | InChI=1S/C18H36OS2/c1-4-5-14-17(20-2)18(21-3)15-12-10-8-6-7-9-11-13-16-19/h16-18H,4-15H2,1-3H3 |
| InChIKey | QVOHRMUUSUFNDR-UHFFFAOYSA-N |
| Molecular Weight | 332.605 g/mol |
| SMILES | CCCCC(C(CCCCCCCCCC=O)SC)SC |