| SpectraBase Compound ID | 2IYTUzmomiF |
|---|---|
| InChI | InChI=1S/C13H12N2O4S/c1-18-9-4-3-7(6-10(9)19-2)5-8-11(16)14-13(20)15-12(8)17/h3-6H,1-2H3,(H2,14,15,16,17,20) |
| InChIKey | RHNGPWBWGMSBFJ-UHFFFAOYSA-N |
| Mol Weight | 292.31 g/mol |
| Molecular Formula | C13H12N2O4S |
| Exact Mass | 292.051778 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | byiCspF5kn |
|---|---|
| Name | 2-Thio-5-veratrylidenebarbituric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.051778044 u |
| Formula | C13H12N2O4S |
| InChI | InChI=1S/C13H12N2O4S/c1-18-9-4-3-7(6-10(9)19-2)5-8-11(16)14-13(20)15-12(8)17/h3-6H,1-2H3,(H2,14,15,16,17,20) |
| InChIKey | RHNGPWBWGMSBFJ-UHFFFAOYSA-N |
| Molecular Weight | 292.309 g/mol |
| SMILES | N1C(NC(C(C1=O)=CC1=CC=C(C(=C1)OC)OC)=O)=S |