| SpectraBase Compound ID | 8CZVBERziLD |
|---|---|
| InChI | InChI=1S/C13H19N3O2S/c1-2-3-4-8-12(17)15-10-6-5-7-11(14-10)16-13(18)9-19/h5-7,19H,2-4,8-9H2,1H3,(H2,14,15,16,17,18) |
| InChIKey | KIFYPJGRKJRMEM-UHFFFAOYSA-N |
| Mol Weight | 281.37 g/mol |
| Molecular Formula | C13H19N3O2S |
| Exact Mass | 281.119798 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2KhKrNC9WGr |
|---|---|
| Name | 2-(Mercaptoacetylamino)-6-hexanoylaminopyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.119798036 u |
| Formula | C13H19N3O2S |
| InChI | InChI=1S/C13H19N3O2S/c1-2-3-4-8-12(17)15-10-6-5-7-11(14-10)16-13(18)9-19/h5-7,19H,2-4,8-9H2,1H3,(H2,14,15,16,17,18) |
| InChIKey | KIFYPJGRKJRMEM-UHFFFAOYSA-N |
| SMILES | C=1(N=C(C=CC1)NC(=O)CS)NC(=O)CCCCC |