| SpectraBase Compound ID | 6yvbMLe1sw9 |
|---|---|
| InChI | InChI=1S/C17H21NO4/c1-2-3-12-21-16(19)6-4-5-7-17(20)22-15-10-8-14(13-18)9-11-15/h8-11H,2-7,12H2,1H3 |
| InChIKey | XHNXLZJKERJKAN-UHFFFAOYSA-N |
| Mol Weight | 303.36 g/mol |
| Molecular Formula | C17H21NO4 |
| Exact Mass | 303.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H7SQM45EHpQ |
|---|---|
| Name | Adipic acid, butyl 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.147058156 u |
| Formula | C17H21NO4 |
| InChI | InChI=1S/C17H21NO4/c1-2-3-12-21-16(19)6-4-5-7-17(20)22-15-10-8-14(13-18)9-11-15/h8-11H,2-7,12H2,1H3 |
| InChIKey | XHNXLZJKERJKAN-UHFFFAOYSA-N |
| SMILES | C(=O)(CCCCC(OCCCC)=O)OC1=CC=C(C=C1)C#N |