| SpectraBase Compound ID | 3oCMZ78bY7r |
|---|---|
| InChI | InChI=1S/C15H14N2O4/c16-9-12(15(18)17-3-5-19-6-4-17)7-11-1-2-13-14(8-11)21-10-20-13/h1-2,7-8H,3-6,10H2 |
| InChIKey | XFHZTNILALEOOM-UHFFFAOYSA-N |
| Mol Weight | 286.29 g/mol |
| Molecular Formula | C15H14N2O4 |
| Exact Mass | 286.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 430M8xuliVB |
|---|---|
| Name | beta-oxo-alpha-Piperonylidene-4-morpholinepropionitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.095356935 u |
| Formula | C15H14N2O4 |
| InChI | InChI=1S/C15H14N2O4/c16-9-12(15(18)17-3-5-19-6-4-17)7-11-1-2-13-14(8-11)21-10-20-13/h1-2,7-8H,3-6,10H2 |
| InChIKey | XFHZTNILALEOOM-UHFFFAOYSA-N |
| SMILES | C=1C(=CC=C2OCOC12)C=C(C#N)C(=O)N1CCOCC1 |