| SpectraBase Compound ID | Bmtt4NWTO8D |
|---|---|
| InChI | InChI=1S/C14H21N3O2S/c1-3-19-13-7-5-12(6-8-13)11-16-17-14(20)15-9-4-10-18-2/h5-8,11H,3-4,9-10H2,1-2H3,(H2,15,17,20)/b16-11+ |
| InChIKey | FESONPYFDLMCBV-LFIBNONCSA-N |
| Mol Weight | 295.4 g/mol |
| Molecular Formula | C14H21N3O2S |
| Exact Mass | 295.135448 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FKsX9mGywMm |
|---|---|
| Name | 1-(p-Ethoxybenzylidene)-4-(3-methoxypropyl)-3-thiosemicarbazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.135448100 u |
| Formula | C14H21N3O2S |
| InChI | InChI=1S/C14H21N3O2S/c1-3-19-13-7-5-12(6-8-13)11-16-17-14(20)15-9-4-10-18-2/h5-8,11H,3-4,9-10H2,1-2H3,(H2,15,17,20)/b16-11+ |
| InChIKey | FESONPYFDLMCBV-LFIBNONCSA-N |
| SMILES | N(\N=C\C1=CC=C(C=C1)OCC)C(NCCCOC)=S |