| SpectraBase Compound ID | IIrjs7eyCar |
|---|---|
| InChI | InChI=1S/C16H18N2O4/c1-20-14-4-3-12(10-15(14)21-2)9-13(11-17)16(19)18-5-7-22-8-6-18/h3-4,9-10H,5-8H2,1-2H3 |
| InChIKey | RQXWIMADWQNBAJ-UHFFFAOYSA-N |
| Mol Weight | 302.33 g/mol |
| Molecular Formula | C16H18N2O4 |
| Exact Mass | 302.126657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3BJjGTtf1M7 |
|---|---|
| Name | beta-oxo-alpha-Veratrylidene-4-morpholinepropionitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.126657064 u |
| Formula | C16H18N2O4 |
| InChI | InChI=1S/C16H18N2O4/c1-20-14-4-3-12(10-15(14)21-2)9-13(11-17)16(19)18-5-7-22-8-6-18/h3-4,9-10H,5-8H2,1-2H3 |
| InChIKey | RQXWIMADWQNBAJ-UHFFFAOYSA-N |
| Molecular Weight | 302.330 g/mol |
| SMILES | C=1C(=CC=C(C1OC)OC)C=C(C#N)C(=O)N1CCOCC1 |