| SpectraBase Compound ID | yZ1gCpZ40j |
|---|---|
| InChI | InChI=1S/C17H19NO2/c1-4-5-6-16(11-13(2)3)20-17(19)15-9-7-14(12-18)8-10-15/h7-10,13,16H,4,11H2,1-3H3 |
| InChIKey | MOIOXTMHXLNGKS-UHFFFAOYSA-N |
| Mol Weight | 269.34 g/mol |
| Molecular Formula | C17H19NO2 |
| Exact Mass | 269.141579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | mUYCni6y9E |
|---|---|
| Name | 4-Cyanobenzoic acid, 2-methyloct-5-yn-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.141578854 u |
| Formula | C17H19NO2 |
| InChI | InChI=1S/C17H19NO2/c1-4-5-6-16(11-13(2)3)20-17(19)15-9-7-14(12-18)8-10-15/h7-10,13,16H,4,11H2,1-3H3 |
| InChIKey | MOIOXTMHXLNGKS-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)C(OC(CC(C)C)C#CCC)=O)C#N |