| SpectraBase Compound ID | 4il8idLidy5 |
|---|---|
| InChI | InChI=1S/C13H27NOS/c1-3-4-11-14(2)13(15)10-8-6-5-7-9-12-16/h16H,3-12H2,1-2H3 |
| InChIKey | XPKCTUTTXZYAPR-UHFFFAOYSA-N |
| Mol Weight | 245.42 g/mol |
| Molecular Formula | C13H27NOS |
| Exact Mass | 245.181336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FZDc0VmiLKV |
|---|---|
| Name | N-Butyl-N-methyl-8-mercaptooctanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.181335666 u |
| Formula | C13H27NOS |
| InChI | InChI=1S/C13H27NOS/c1-3-4-11-14(2)13(15)10-8-6-5-7-9-12-16/h16H,3-12H2,1-2H3 |
| InChIKey | XPKCTUTTXZYAPR-UHFFFAOYSA-N |
| Molecular Weight | 245.425 g/mol |
| SMILES | C(CCCCCCCS)(=O)N(C)CCCC |