| SpectraBase Compound ID | 3GRanTnUMov |
|---|---|
| InChI | InChI=1S/C14H17NO2/c1-11(2)4-3-9-17-14(16)13-7-5-12(10-15)6-8-13/h5-8,11H,3-4,9H2,1-2H3 |
| InChIKey | GOLYHGDZZIHEEL-UHFFFAOYSA-N |
| Mol Weight | 231.29 g/mol |
| Molecular Formula | C14H17NO2 |
| Exact Mass | 231.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYs35auZN48 |
|---|---|
| Name | 4-Cyanobenzoic acid, 4-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.125928789 u |
| Formula | C14H17NO2 |
| InChI | InChI=1S/C14H17NO2/c1-11(2)4-3-9-17-14(16)13-7-5-12(10-15)6-8-13/h5-8,11H,3-4,9H2,1-2H3 |
| InChIKey | GOLYHGDZZIHEEL-UHFFFAOYSA-N |
| Molecular Weight | 231.295 g/mol |
| SMILES | C(OC(C=1C=CC(=CC1)C#N)=O)CCC(C)C |