| SpectraBase Compound ID | ANk7YbaPZD7 |
|---|---|
| InChI | InChI=1S/C22H20O5/c1-3-26-21(24)19(22(25)27-4-2)20(23)17-11-7-9-15-13-12-14-8-5-6-10-16(14)18(15)17/h5-13,19H,3-4H2,1-2H3 |
| InChIKey | VSJMSXYAXBGOEE-UHFFFAOYSA-N |
| Mol Weight | 364.4 g/mol |
| Molecular Formula | C22H20O5 |
| Exact Mass | 364.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dp54WORt202 |
|---|---|
| Name | Diethyl-4-phenanthroyl malonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.131073739 u |
| Formula | C22H20O5 |
| InChI | InChI=1S/C22H20O5/c1-3-26-21(24)19(22(25)27-4-2)20(23)17-11-7-9-15-13-12-14-8-5-6-10-16(14)18(15)17/h5-13,19H,3-4H2,1-2H3 |
| InChIKey | VSJMSXYAXBGOEE-UHFFFAOYSA-N |
| Molecular Weight | 364.397 g/mol |
| SMILES | C1=C2C(C=CC=C2)=C2C(=C1)C=CC=C2C(=O)C(C(OCC)=O)C(OCC)=O |