| SpectraBase Compound ID | KvOxllF4p4p |
|---|---|
| InChI | InChI=1S/C20H27NO4/c1-3-5-7-16(4-2)15-24-19(22)8-6-9-20(23)25-18-12-10-17(14-21)11-13-18/h10-13,16H,3-9,15H2,1-2H3 |
| InChIKey | PNUDLLIBKNIMPR-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 | mW4o7IOIRu |
|---|---|
| Name | Glutaric acid, 2-ethylhexyl 4-cyanophenyl 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/c1-3-5-7-16(4-2)15-24-19(22)8-6-9-20(23)25-18-12-10-17(14-21)11-13-18/h10-13,16H,3-9,15H2,1-2H3 |
| InChIKey | PNUDLLIBKNIMPR-UHFFFAOYSA-N |
| Molecular Weight | 345.439 g/mol |
| SMILES | C(CCC(OCC(CC)CCCC)=O)C(OC1=CC=C(C#N)C=C1)=O |