| SpectraBase Compound ID | 2n0aculZzK2 |
|---|---|
| InChI | InChI=1S/C11H15NO2S/c1-2-3-4-8-15-10-9(11(13)14)6-5-7-12-10/h5-7H,2-4,8H2,1H3,(H,13,14) |
| InChIKey | KBLCPQKUAQPOQS-UHFFFAOYSA-N |
| Mol Weight | 225.31 g/mol |
| Molecular Formula | C11H15NO2S |
| Exact Mass | 225.08235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hn8wmEffl8p |
|---|---|
| Name | 2-(N-Amylthio)nicotinic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.082349899 u |
| Formula | C11H15NO2S |
| InChI | InChI=1S/C11H15NO2S/c1-2-3-4-8-15-10-9(11(13)14)6-5-7-12-10/h5-7H,2-4,8H2,1H3,(H,13,14) |
| InChIKey | KBLCPQKUAQPOQS-UHFFFAOYSA-N |
| Molecular Weight | 225.306 g/mol |
| SMILES | C1(=C(N=CC=C1)SCCCCC)C(O)=O |