| SpectraBase Compound ID | Brc5C4AFeo0 |
|---|---|
| InChI | InChI=1S/C17H18N2O4/c1-3-22-16(20)14(17(21)23-4-2)11-19-15-9-12-7-5-6-8-13(12)10-18-15/h5-11H,3-4H2,1-2H3,(H,18,19) |
| InChIKey | LHOJUBUDFIKAEJ-UHFFFAOYSA-N |
| Mol Weight | 314.34 g/mol |
| Molecular Formula | C17H18N2O4 |
| Exact Mass | 314.126657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7TD3EwcU87M |
|---|---|
| Name | Diethyl 3-isoquinolylamino methylene malonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.126657064 u |
| Formula | C17H18N2O4 |
| InChI | InChI=1S/C17H18N2O4/c1-3-22-16(20)14(17(21)23-4-2)11-19-15-9-12-7-5-6-8-13(12)10-18-15/h5-11H,3-4H2,1-2H3,(H,18,19) |
| InChIKey | LHOJUBUDFIKAEJ-UHFFFAOYSA-N |
| Molecular Weight | 314.341 g/mol |
| SMILES | C(OCC)(C(=CNC1=NC=C2C=CC=CC2=C1)C(=O)OCC)=O |