| SpectraBase Compound ID | 9K69uDegu3K |
|---|---|
| InChI | InChI=1S/C17H15N3OS/c1-12-7-9-13(10-8-12)11-19-16(22)15(18)20(17(19)21)14-5-3-2-4-6-14/h2-10,18H,11H2,1H3 |
| InChIKey | UCKMJMHYWAFQCE-UHFFFAOYSA-N |
| Mol Weight | 309.39 g/mol |
| Molecular Formula | C17H15N3OS |
| Exact Mass | 309.093583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9EmmjOMMSBy |
|---|---|
| Name | 3-(4-Methylbenzyl)-5-imino-1-phenyl-4-thioxo-2-imidazolidinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.093583288 u |
| Formula | C17H15N3OS |
| InChI | InChI=1S/C17H15N3OS/c1-12-7-9-13(10-8-12)11-19-16(22)15(18)20(17(19)21)14-5-3-2-4-6-14/h2-10,18H,11H2,1H3 |
| InChIKey | UCKMJMHYWAFQCE-UHFFFAOYSA-N |
| Molecular Weight | 309.387 g/mol |
| SMILES | C1(N(CC=2C=CC(C)=CC2)C(=S)C(=N)N1C=1C=CC=CC1)=O |