| SpectraBase Compound ID | 8e7SAATAWMQ |
|---|---|
| InChI | InChI=1S/C9H11N3S2/c1-2-5-10-9(13)12-11-7-8-4-3-6-14-8/h2-4,6-7H,1,5H2,(H2,10,12,13)/b11-7+ |
| InChIKey | CMWOFFHAOZAYOD-YRNVUSSQSA-N |
| Mol Weight | 225.33 g/mol |
| Molecular Formula | C9H11N3S2 |
| Exact Mass | 225.03944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9NeVphX9Jc7 |
|---|---|
| Name | 2-Thiophenecarboxaldehyde, 4-allyl-3-thiosemicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.039439714 u |
| Formula | C9H11N3S2 |
| InChI | InChI=1S/C9H11N3S2/c1-2-5-10-9(13)12-11-7-8-4-3-6-14-8/h2-4,6-7H,1,5H2,(H2,10,12,13)/b11-7+ |
| InChIKey | CMWOFFHAOZAYOD-YRNVUSSQSA-N |
| SMILES | N(C(NCC=C)=S)\N=C\C1=CC=CS1 |