| SpectraBase Compound ID | 3D7GhBh5r7k |
|---|---|
| InChI | InChI=1S/C12H24N2O2S/c1-2-3-4-5-6-7-9-13-12(17)14-10-8-11(15)16/h2-10H2,1H3,(H,15,16)(H2,13,14,17) |
| InChIKey | UHQPNIFUTKBWAX-UHFFFAOYSA-N |
| Mol Weight | 260.4 g/mol |
| Molecular Formula | C12H24N2O2S |
| Exact Mass | 260.155849 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Nrcbq5l2D2 |
|---|---|
| Name | 3-(3-Octyl-2-thioureido)propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.155849193 u |
| Formula | C12H24N2O2S |
| InChI | InChI=1S/C12H24N2O2S/c1-2-3-4-5-6-7-9-13-12(17)14-10-8-11(15)16/h2-10H2,1H3,(H,15,16)(H2,13,14,17) |
| InChIKey | UHQPNIFUTKBWAX-UHFFFAOYSA-N |
| Molecular Weight | 260.396 g/mol |
| SMILES | N(CCCCCCCC)C(NCCC(O)=O)=S |