![N-[(E)-pentylideneamino]-2-(2-quinolinylthio)acetamide](/api/spectrum/90ljhcvo8fm/structure.png?h=300&w=458 "N-[(E)-pentylideneamino]-2-(2-quinolinylthio)acetamide")
| SpectraBase Compound ID | APNKNfNRs2J |
|---|---|
| InChI | InChI=1S/C16H19N3OS/c1-2-3-6-11-17-19-15(20)12-21-16-10-9-13-7-4-5-8-14(13)18-16/h4-5,7-11H,2-3,6,12H2,1H3,(H,19,20)/b17-11+ |
| InChIKey | MZFDGGHHSLAQJN-GZTJUZNOSA-N |
| Mol Weight | 301.41 g/mol |
| Molecular Formula | C16H19N3OS |
| Exact Mass | 301.124883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90ljhcvo8fm |
|---|---|
| Name | N-[(E)-Pentylideneamino]-2-(2-quinolinylthio)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.124883417 u |
| Formula | C16H19N3OS |
| InChI | InChI=1S/C16H19N3OS/c1-2-3-6-11-17-19-15(20)12-21-16-10-9-13-7-4-5-8-14(13)18-16/h4-5,7-11H,2-3,6,12H2,1H3,(H,19,20)/b17-11+ |
| InChIKey | MZFDGGHHSLAQJN-GZTJUZNOSA-N |
| SMILES | C=1C=CC2=NC(SCC(N\N=C\CCCC)=O)=CC=C2C1 |