| SpectraBase Compound ID | BhpqV5DYrua |
|---|---|
| InChI | InChI=1S/C15H19NO2/c1-2-3-4-5-6-11-18-15(17)14-9-7-13(12-16)8-10-14/h7-10H,2-6,11H2,1H3 |
| InChIKey | QNDZVAFNIKAYET-UHFFFAOYSA-N |
| Mol Weight | 245.32 g/mol |
| Molecular Formula | C15H19NO2 |
| Exact Mass | 245.141579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7K0C1Lh3mCu |
|---|---|
| Name | 4-Cyanobenzoic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.141578854 u |
| Formula | C15H19NO2 |
| InChI | InChI=1S/C15H19NO2/c1-2-3-4-5-6-11-18-15(17)14-9-7-13(12-16)8-10-14/h7-10H,2-6,11H2,1H3 |
| InChIKey | QNDZVAFNIKAYET-UHFFFAOYSA-N |
| Molecular Weight | 245.322 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCCCCC)=O)C#N |