| SpectraBase Compound ID | 3MTRfUUjpuN |
|---|---|
| InChI | InChI=1S/C17H17NO7/c1-3-24-16(22)13(17(23)25-4-2)12(19)9-18-14(20)10-7-5-6-8-11(10)15(18)21/h5-8,13H,3-4,9H2,1-2H3 |
| InChIKey | NCITWUPFLDFKKG-UHFFFAOYSA-N |
| Mol Weight | 347.32 g/mol |
| Molecular Formula | C17H17NO7 |
| Exact Mass | 347.100502 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8zxn7hKs7gQ |
|---|---|
| Name | Diethyl phthalimidoacetyl malonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.100501884 u |
| Formula | C17H17NO7 |
| InChI | InChI=1S/C17H17NO7/c1-3-24-16(22)13(17(23)25-4-2)12(19)9-18-14(20)10-7-5-6-8-11(10)15(18)21/h5-8,13H,3-4,9H2,1-2H3 |
| InChIKey | NCITWUPFLDFKKG-UHFFFAOYSA-N |
| Molecular Weight | 347.323 g/mol |
| SMILES | CCOC(=O)C(C(=O)CN1C(=O)C2=CC=CC=C2C1=O)C(OCC)=O |