| SpectraBase Compound ID | 70R6QOrhP5t |
|---|---|
| InChI | InChI=1S/C15H15ClN4OS/c16-12-6-8-13(9-7-12)18-15(20-19-14(17)21)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,20)(H3,17,19,21) |
| InChIKey | CQZHIRHUFAIZMP-UHFFFAOYSA-N |
| Mol Weight | 334.83 g/mol |
| Molecular Formula | C15H15ClN4OS |
| Exact Mass | 334.06551 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vxccU7ta90 |
|---|---|
| Name | 1-p-Chlorophenyl-2-S-benzylisothiobiurea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.065509992 u |
| Formula | C15H15ClN4OS |
| InChI | InChI=1S/C15H15ClN4OS/c16-12-6-8-13(9-7-12)18-15(20-19-14(17)21)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,20)(H3,17,19,21) |
| InChIKey | CQZHIRHUFAIZMP-UHFFFAOYSA-N |
| Molecular Weight | 334.825 g/mol |
| SMILES | C(N\N=C/(NC=1C=CC(=CC1)Cl)SCC1=CC=CC=C1)(=O)N |