| SpectraBase Compound ID | LuXtz9RNhJa |
|---|---|
| InChI | InChI=1S/C16H21NO2/c1-2-3-4-5-6-7-12-19-16(18)15-10-8-14(13-17)9-11-15/h8-11H,2-7,12H2,1H3 |
| InChIKey | SKJQGJGHSZPIFH-UHFFFAOYSA-N |
| Mol Weight | 259.35 g/mol |
| Molecular Formula | C16H21NO2 |
| Exact Mass | 259.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B73pT8GcDrh |
|---|---|
| Name | 4-Cyanobenzoic acid, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.157228918 u |
| Formula | C16H21NO2 |
| InChI | InChI=1S/C16H21NO2/c1-2-3-4-5-6-7-12-19-16(18)15-10-8-14(13-17)9-11-15/h8-11H,2-7,12H2,1H3 |
| InChIKey | SKJQGJGHSZPIFH-UHFFFAOYSA-N |
| Molecular Weight | 259.349 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCCCCCCCC)=O)C#N |