| SpectraBase Compound ID | E9tmLnmsQN2 |
|---|---|
| InChI | InChI=1S/C19H25NO4/c1-4-7-8-13-23-17(21)19(5-2,6-3)18(22)24-16-11-9-15(14-20)10-12-16/h9-12H,4-8,13H2,1-3H3 |
| InChIKey | FLMWXYZUQMQDFN-UHFFFAOYSA-N |
| Mol Weight | 331.41 g/mol |
| Molecular Formula | C19H25NO4 |
| Exact Mass | 331.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9X6ykJ4WeqV |
|---|---|
| Name | Diethylmalonic acid, 4-cyanophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.178358285 u |
| Formula | C19H25NO4 |
| InChI | InChI=1S/C19H25NO4/c1-4-7-8-13-23-17(21)19(5-2,6-3)18(22)24-16-11-9-15(14-20)10-12-16/h9-12H,4-8,13H2,1-3H3 |
| InChIKey | FLMWXYZUQMQDFN-UHFFFAOYSA-N |
| Molecular Weight | 331.412 g/mol |
| SMILES | CCC(C(OCCCCC)=O)(C(OC1=CC=C(C=C1)C#N)=O)CC |