| SpectraBase Compound ID | 6COVCGbH7am |
|---|---|
| InChI | InChI=1S/C18H23NO4/c1-3-4-5-6-14(2)22-17(20)11-12-18(21)23-16-9-7-15(13-19)8-10-16/h7-10,14H,3-6,11-12H2,1-2H3 |
| InChIKey | FYCOUDMMPMCWOI-UHFFFAOYSA-N |
| Mol Weight | 317.39 g/mol |
| Molecular Formula | C18H23NO4 |
| Exact Mass | 317.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FGgRid1Jsu8 |
|---|---|
| Name | Succinic acid, hept-2-yl 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.162708221 u |
| Formula | C18H23NO4 |
| InChI | InChI=1S/C18H23NO4/c1-3-4-5-6-14(2)22-17(20)11-12-18(21)23-16-9-7-15(13-19)8-10-16/h7-10,14H,3-6,11-12H2,1-2H3 |
| InChIKey | FYCOUDMMPMCWOI-UHFFFAOYSA-N |
| Molecular Weight | 317.385 g/mol |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OC=1C=CC(=CC1)C#N)=O |