| SpectraBase Compound ID | CynnSR4RET7 |
|---|---|
| InChI | InChI=1S/C17H12N4S/c18-8-13-15(14(9-19)17(21)22-16(13)20)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,15H,20-21H2 |
| InChIKey | YXMNNRBXIZWZAB-UHFFFAOYSA-N |
| Mol Weight | 304.37 g/mol |
| Molecular Formula | C17H12N4S |
| Exact Mass | 304.078268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1eVhN8RV2F0 |
|---|---|
| Name | 4H-Thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(1-naphthyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.078267576 u |
| Formula | C17H12N4S |
| InChI | InChI=1S/C17H12N4S/c18-8-13-15(14(9-19)17(21)22-16(13)20)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,15H,20-21H2 |
| InChIKey | YXMNNRBXIZWZAB-UHFFFAOYSA-N |
| Molecular Weight | 304.371 g/mol |
| SMILES | C=1(C(C(C#N)=C(SC1N)N)C=1C=2C(=CC=CC2)C=CC1)C#N |