| SpectraBase Compound ID | IR05n8tlLHw |
|---|---|
| InChI | InChI=1S/C17H19N3O2S/c1-12-4-2-3-5-15(12)18-17(23)20-19-16(22)11-8-13-6-9-14(21)10-7-13/h2-7,9-10,21H,8,11H2,1H3,(H,19,22)(H2,18,20,23) |
| InChIKey | ABPLHJUQNHVIGR-UHFFFAOYSA-N |
| Mol Weight | 329.42 g/mol |
| Molecular Formula | C17H19N3O2S |
| Exact Mass | 329.119798 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jai2fnjphDd |
|---|---|
| Name | 1-(p-Hydroxyhydrocinnamoyl)-3-thio-4-o-tolylsemicarbazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.119798036 u |
| Formula | C17H19N3O2S |
| InChI | InChI=1S/C17H19N3O2S/c1-12-4-2-3-5-15(12)18-17(23)20-19-16(22)11-8-13-6-9-14(21)10-7-13/h2-7,9-10,21H,8,11H2,1H3,(H,19,22)(H2,18,20,23) |
| InChIKey | ABPLHJUQNHVIGR-UHFFFAOYSA-N |
| Molecular Weight | 329.418 g/mol |
| SMILES | N(C1=C(C=CC=C1)C)C(NNC(CCC=1C=CC(=CC1)O)=O)=S |