| SpectraBase Compound ID | 8o3dUyXjeEM |
|---|---|
| InChI | InChI=1S/C13H9N3O2S/c17-11-9(12(18)16-13(19)15-11)5-7-6-14-10-4-2-1-3-8(7)10/h1-6,14H,(H2,15,16,17,18,19) |
| InChIKey | XQPSWDRJQACIFU-UHFFFAOYSA-N |
| Mol Weight | 271.29 g/mol |
| Molecular Formula | C13H9N3O2S |
| Exact Mass | 271.041548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DpZ0WnvO6Fb |
|---|---|
| Name | 5-(Indol-3-ylmethylene)-2-thiobarbituric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.041547714 u |
| Formula | C13H9N3O2S |
| InChI | InChI=1S/C13H9N3O2S/c17-11-9(12(18)16-13(19)15-11)5-7-6-14-10-4-2-1-3-8(7)10/h1-6,14H,(H2,15,16,17,18,19) |
| InChIKey | XQPSWDRJQACIFU-UHFFFAOYSA-N |
| Molecular Weight | 271.294 g/mol |
| SMILES | N1C(NC(C(C1=O)=CC=1C=2C=CC=CC2NC1)=O)=S |