| SpectraBase Compound ID | JROW1CVdio6 |
|---|---|
| InChI | InChI=1S/C20H27NO4/c1-4-7-8-9-14-24-18(22)20(5-2,6-3)19(23)25-17-12-10-16(15-21)11-13-17/h10-13H,4-9,14H2,1-3H3 |
| InChIKey | RMPZVJHGGWXLOV-UHFFFAOYSA-N |
| Mol Weight | 345.44 g/mol |
| Molecular Formula | C20H27NO4 |
| Exact Mass | 345.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 73wb8M2VJdp |
|---|---|
| Name | Diethylmalonic acid, 4-cyanophenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.194008349 u |
| Formula | C20H27NO4 |
| InChI | InChI=1S/C20H27NO4/c1-4-7-8-9-14-24-18(22)20(5-2,6-3)19(23)25-17-12-10-16(15-21)11-13-17/h10-13H,4-9,14H2,1-3H3 |
| InChIKey | RMPZVJHGGWXLOV-UHFFFAOYSA-N |
| Molecular Weight | 345.439 g/mol |
| SMILES | CCC(C(OCCCCCC)=O)(C(OC1=CC=C(C=C1)C#N)=O)CC |