| SpectraBase Compound ID | 9tEHjs6jA6C |
|---|---|
| InChI | InChI=1S/C11H8N2O3S/c12-11-13-10(14)9(17-11)4-6-1-2-7-8(3-6)16-5-15-7/h1-4H,5H2,(H2,12,13,14)/b9-4+ |
| InChIKey | JLPIFFCNKDHNMZ-RUDMXATFSA-N |
| Mol Weight | 248.26 g/mol |
| Molecular Formula | C11H8N2O3S |
| Exact Mass | 248.025563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HVC5i9rcEVy |
|---|---|
| Name | 5-Piperonylidene pseudothiohydantoin |
| 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/c12-11-13-10(14)9(17-11)4-6-1-2-7-8(3-6)16-5-15-7/h1-4H,5H2,(H2,12,13,14)/b9-4+ |
| InChIKey | JLPIFFCNKDHNMZ-RUDMXATFSA-N |
| Molecular Weight | 248.256 g/mol |
| SMILES | C1(=N)NC(=O)\C(S1)=C/C1=CC=C2C(OCO2)=C1 |