| SpectraBase Compound ID | A6CPvjZVHiP |
|---|---|
| InChI | InChI=1S/C19H23NO4/c20-13-15-9-11-17(12-10-15)24-19(22)8-4-7-18(21)23-14-16-5-2-1-3-6-16/h9-12,16H,1-8,14H2 |
| InChIKey | NCIIMKSUQCAWIJ-UHFFFAOYSA-N |
| Mol Weight | 329.4 g/mol |
| Molecular Formula | C19H23NO4 |
| Exact Mass | 329.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KDIhSSTNjJZ |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.162708221 u |
| Formula | C19H23NO4 |
| InChI | InChI=1S/C19H23NO4/c20-13-15-9-11-17(12-10-15)24-19(22)8-4-7-18(21)23-14-16-5-2-1-3-6-16/h9-12,16H,1-8,14H2 |
| InChIKey | NCIIMKSUQCAWIJ-UHFFFAOYSA-N |
| Molecular Weight | 329.396 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OC1=CC=C(C#N)C=C1)=O |