| SpectraBase Compound ID | 8QxNxU3BUdm |
|---|---|
| InChI | InChI=1S/C11H11N3OS/c1-7(13-14-11(12)16)10-6-8-4-2-3-5-9(8)15-10/h2-6H,1H3,(H3,12,14,16)/b13-7+ |
| InChIKey | KAZVUKSTVSELIS-NTUHNPAUSA-N |
| Mol Weight | 233.29 g/mol |
| Molecular Formula | C11H11N3OS |
| Exact Mass | 233.062283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F2F7yjpV50i |
|---|---|
| Name | (1E)-1-(1-Benzofuran-2-yl)ethanone thiosemicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.062283159 u |
| Formula | C11H11N3OS |
| InChI | InChI=1S/C11H11N3OS/c1-7(13-14-11(12)16)10-6-8-4-2-3-5-9(8)15-10/h2-6H,1H3,(H3,12,14,16)/b13-7+ |
| InChIKey | KAZVUKSTVSELIS-NTUHNPAUSA-N |
| Molecular Weight | 233.289 g/mol |
| SMILES | N(C(=S)N)\N=C\(C=1OC=2C=CC=CC2C1)C |