| SpectraBase Compound ID | FoObVE0Kxif |
|---|---|
| InChI | InChI=1S/C11H8N2O3S/c14-10-7(12-11(17)13-10)3-6-1-2-8-9(4-6)16-5-15-8/h1-4H,5H2,(H2,12,13,14,17)/b7-3+ |
| InChIKey | PKAJHHBFVYAMMP-XVNBXDOJSA-N |
| Mol Weight | 248.26 g/mol |
| Molecular Formula | C11H8N2O3S |
| Exact Mass | 248.025563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FFtol7HJPfd |
|---|---|
| Name | 5-Piperonylidene-2-thiohydantoin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.025563297 u |
| Formula | C11H8N2O3S |
| InChI | InChI=1S/C11H8N2O3S/c14-10-7(12-11(17)13-10)3-6-1-2-8-9(4-6)16-5-15-8/h1-4H,5H2,(H2,12,13,14,17)/b7-3+ |
| InChIKey | PKAJHHBFVYAMMP-XVNBXDOJSA-N |
| Molecular Weight | 248.256 g/mol |
| SMILES | C1(=S)N\C(C(=O)N1)=C/C1=CC=C2OCOC2=C1 |