| SpectraBase Compound ID | 9ZG7jdiFIG2 |
|---|---|
| InChI | InChI=1S/C13H8N2O2S/c16-12-10-5-1-2-6-11(10)13(17)15(12)14-8-9-4-3-7-18-9/h1-8H/b14-8+ |
| InChIKey | WQDVCKVNWIJFEV-RIYZIHGNSA-N |
| Mol Weight | 256.28 g/mol |
| Molecular Formula | C13H8N2O2S |
| Exact Mass | 256.030649 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EP82p1LIFPP |
|---|---|
| Name | 2-(Thiophen-2-yl)methyleneamino-isoindole-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.030648678 u |
| Formula | C13H8N2O2S |
| InChI | InChI=1S/C13H8N2O2S/c16-12-10-5-1-2-6-11(10)13(17)15(12)14-8-9-4-3-7-18-9/h1-8H/b14-8+ |
| InChIKey | WQDVCKVNWIJFEV-RIYZIHGNSA-N |
| SMILES | C1(N(C(C=2C=CC=CC12)=O)\N=C\C1=CC=CS1)=O |