| SpectraBase Compound ID | xcX7Qf49EE |
|---|---|
| InChI | InChI=1S/C12H11NOS2/c1-14-10-6-4-9(5-7-10)13-12(15)11-3-2-8-16-11/h2-8H,1H3,(H,13,15) |
| InChIKey | JEBMQJFCOBWCAG-UHFFFAOYSA-N |
| Mol Weight | 249.35 g/mol |
| Molecular Formula | C12H11NOS2 |
| Exact Mass | 249.028206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IaCD7DbAL2V |
|---|---|
| Name | 2-Thiophenecarbothioamide, N-(4-methoxyphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.028206325 u |
| Formula | C12H11NOS2 |
| InChI | InChI=1S/C12H11NOS2/c1-14-10-6-4-9(5-7-10)13-12(15)11-3-2-8-16-11/h2-8H,1H3,(H,13,15) |
| InChIKey | JEBMQJFCOBWCAG-UHFFFAOYSA-N |
| Molecular Weight | 249.346 g/mol |
| SMILES | C=1SC(=CC1)C(NC1=CC=C(OC)C=C1)=S |