![2-Pyridinamine, 5-nitro-N-[2-(phenylthio)ethyl]-](/api/spectrum/HS7Bq0WV3Bk/structure.png?h=300&w=458 "2-Pyridinamine, 5-nitro-N-[2-(phenylthio)ethyl]-")
| SpectraBase Compound ID | KpRB6NGqBi5 |
|---|---|
| InChI | InChI=1S/C13H13N3O2S/c17-16(18)11-6-7-13(15-10-11)14-8-9-19-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,14,15) |
| InChIKey | ZJSLRAVVMURKLA-UHFFFAOYSA-N |
| Mol Weight | 275.33 g/mol |
| Molecular Formula | C13H13N3O2S |
| Exact Mass | 275.072848 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HS7Bq0WV3Bk |
|---|---|
| Name | 2-Pyridinamine, 5-nitro-N-[2-(phenylthio)ethyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.072847843 u |
| Formula | C13H13N3O2S |
| InChI | InChI=1S/C13H13N3O2S/c17-16(18)11-6-7-13(15-10-11)14-8-9-19-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,14,15) |
| InChIKey | ZJSLRAVVMURKLA-UHFFFAOYSA-N |
| SMILES | C(CNC1=NC=C(N(=O)=O)C=C1)SC1=CC=CC=C1 |