| SpectraBase Compound ID | 3eECsamwrdZ |
|---|---|
| InChI | InChI=1S/C17H21NO4/c1-4-11-21-15(19)17(5-2,6-3)16(20)22-14-9-7-13(12-18)8-10-14/h7-10H,4-6,11H2,1-3H3 |
| InChIKey | AGIOQGNTKFJTNV-UHFFFAOYSA-N |
| Mol Weight | 303.36 g/mol |
| Molecular Formula | C17H21NO4 |
| Exact Mass | 303.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ECEmCkTI1s |
|---|---|
| Name | Diethylmalonic acid, 4-cyanophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.147058156 u |
| Formula | C17H21NO4 |
| InChI | InChI=1S/C17H21NO4/c1-4-11-21-15(19)17(5-2,6-3)16(20)22-14-9-7-13(12-18)8-10-14/h7-10H,4-6,11H2,1-3H3 |
| InChIKey | AGIOQGNTKFJTNV-UHFFFAOYSA-N |
| SMILES | CCC(C(OCCC)=O)(C(OC1=CC=C(C#N)C=C1)=O)CC |