| SpectraBase Compound ID | IdeLl3XNDR8 |
|---|---|
| InChI | InChI=1S/C16H10N2O/c17-9-11(10-18)16-12-5-1-3-7-14(12)19-15-8-4-2-6-13(15)16/h1-8,11,16H |
| InChIKey | ZWUWQDXEIPVKAL-UHFFFAOYSA-N |
| Mol Weight | 246.27 g/mol |
| Molecular Formula | C16H10N2O |
| Exact Mass | 246.079313 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B0Wbj4hMUyT |
|---|---|
| Name | 9-Xanthenylmalononitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.079312949 u |
| Formula | C16H10N2O |
| InChI | InChI=1S/C16H10N2O/c17-9-11(10-18)16-12-5-1-3-7-14(12)19-15-8-4-2-6-13(15)16/h1-8,11,16H |
| InChIKey | ZWUWQDXEIPVKAL-UHFFFAOYSA-N |
| Molecular Weight | 246.269 g/mol |
| SMILES | C=12C=CC=CC1OC=1C=CC=CC1C2C(C#N)C#N |