| SpectraBase Compound ID | Cn0dRI8yUqg |
|---|---|
| InChI | InChI=1S/C18H18N4O2/c19-13-15-7-5-9-17(21-15)23-11-3-1-2-4-12-24-18-10-6-8-16(14-20)22-18/h5-10H,1-4,11-12H2 |
| InChIKey | PYWKBOBFOUNADI-UHFFFAOYSA-N |
| Mol Weight | 322.37 g/mol |
| Molecular Formula | C18H18N4O2 |
| Exact Mass | 322.142976 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8qh03s0QtBA |
|---|---|
| Name | 6,6'-(Hexamethylenedioxy)dipicolinonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.142975834 u |
| Formula | C18H18N4O2 |
| InChI | InChI=1S/C18H18N4O2/c19-13-15-7-5-9-17(21-15)23-11-3-1-2-4-12-24-18-10-6-8-16(14-20)22-18/h5-10H,1-4,11-12H2 |
| InChIKey | PYWKBOBFOUNADI-UHFFFAOYSA-N |
| Molecular Weight | 322.368 g/mol |
| SMILES | C=1C(=NC(=CC1)OCCCCCCOC=1N=C(C=CC1)C#N)C#N |