| SpectraBase Compound ID | 9ZzXNZF5pKi |
|---|---|
| InChI | InChI=1S/C16H12N4OS/c21-15(9-22-16-17-10-18-19-16)20-13-7-3-1-5-11(13)12-6-2-4-8-14(12)20/h1-8,10H,9H2,(H,17,18,19) |
| InChIKey | URPCANABNZNHRO-UHFFFAOYSA-N |
| Mol Weight | 308.36 g/mol |
| Molecular Formula | C16H12N4OS |
| Exact Mass | 308.073182 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNsmYLdGaOX |
|---|---|
| Name | Ethanone, 1-(9-carbazolyl)-2-(1,2,4-triazol-3-yl)thio- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.073182195 u |
| Formula | C16H12N4OS |
| InChI | InChI=1S/C16H12N4OS/c21-15(9-22-16-17-10-18-19-16)20-13-7-3-1-5-11(13)12-6-2-4-8-14(12)20/h1-8,10H,9H2,(H,17,18,19) |
| InChIKey | URPCANABNZNHRO-UHFFFAOYSA-N |
| Molecular Weight | 308.359 g/mol |
| SMILES | C=1NC(SCC(N2C3=C(C=CC=C3)C=3C2=CC=CC3)=O)=NN1 |