![2,5,8,11,14-Pentaoxa-19-azabicyclo[13.3.1]nonadeca-1(19),15,17-triene-16-carbonitrile](/api/spectrum/1cdBiMlU9i3/structure.png?h=300&w=458 "2,5,8,11,14-Pentaoxa-19-azabicyclo[13.3.1]nonadeca-1(19),15,17-triene-16-carbonitrile")
| SpectraBase Compound ID | DlOsdSkm8oy |
|---|---|
| InChI | InChI=1S/C14H18N2O5/c15-11-12-1-2-13-16-14(12)21-10-8-19-6-4-17-3-5-18-7-9-20-13/h1-2H,3-10H2 |
| InChIKey | FPJLUHVBXOVYGP-UHFFFAOYSA-N |
| Mol Weight | 294.31 g/mol |
| Molecular Formula | C14H18N2O5 |
| Exact Mass | 294.121572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1cdBiMlU9i3 |
|---|---|
| Name | 2,5,8,11,14-Pentaoxa-19-azabicyclo[13.3.1]nonadeca-1(19),15,17-triene-16-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.121571683 u |
| Formula | C14H18N2O5 |
| InChI | InChI=1S/C14H18N2O5/c15-11-12-1-2-13-16-14(12)21-10-8-19-6-4-17-3-5-18-7-9-20-13/h1-2H,3-10H2 |
| InChIKey | FPJLUHVBXOVYGP-UHFFFAOYSA-N |
| SMILES | C1=2N=C(C=CC2C#N)OCCOCCOCCOCCO1 |