| SpectraBase Compound ID | boM54nAIh8 |
|---|---|
| InChI | InChI=1S/C15H10ClN3OS/c16-12-6-8-13(9-7-12)18-19-15(21-10-17)14(20)11-4-2-1-3-5-11/h1-9,18H/b19-15- |
| InChIKey | PBCJYKFUDDYGSB-CYVLTUHYSA-N |
| Mol Weight | 315.78 g/mol |
| Molecular Formula | C15H10ClN3OS |
| Exact Mass | 315.023311 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8OObLyMEBUp |
|---|---|
| Name | Ethanedione, 1-phenyl-2-thiocyanato-, 2-(4-chlorophenylhydrazone) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.023310827 u |
| Formula | C15H10ClN3OS |
| InChI | InChI=1S/C15H10ClN3OS/c16-12-6-8-13(9-7-12)18-19-15(21-10-17)14(20)11-4-2-1-3-5-11/h1-9,18H/b19-15- |
| InChIKey | PBCJYKFUDDYGSB-CYVLTUHYSA-N |
| Molecular Weight | 315.778 g/mol |
| SMILES | C1=CC(C(=O)\C(SC#N)=N\NC=2C=CC(=CC2)Cl)=CC=C1 |