| SpectraBase Compound ID | 1XfgilWxcnF |
|---|---|
| InChI | InChI=1S/C16H15N3O3S/c20-15(12-6-7-13-14(8-12)22-10-21-13)18-19-16(23)17-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,20)(H2,17,19,23) |
| InChIKey | SVVARHBQDXSNCL-UHFFFAOYSA-N |
| Mol Weight | 329.37 g/mol |
| Molecular Formula | C16H15N3O3S |
| Exact Mass | 329.083413 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1yDy056pHLy |
|---|---|
| Name | 2-(1,3-Benzodioxol-5-ylcarbonyl)-N-benzylhydrazinecarbothioamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.083412526 u |
| Formula | C16H15N3O3S |
| InChI | InChI=1S/C16H15N3O3S/c20-15(12-6-7-13-14(8-12)22-10-21-13)18-19-16(23)17-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,20)(H2,17,19,23) |
| InChIKey | SVVARHBQDXSNCL-UHFFFAOYSA-N |
| SMILES | N(NC(C=1C=C2OCOC2=CC1)=O)C(=S)NCC1=CC=CC=C1 |