| SpectraBase Compound ID | 9nsCOYErDib |
|---|---|
| InChI | InChI=1S/C19H19NO2/c1-3-14(2)12-15-4-8-17(9-5-15)19(21)22-18-10-6-16(13-20)7-11-18/h4-11,14H,3,12H2,1-2H3 |
| InChIKey | BFRBUVLKQOYVGQ-UHFFFAOYSA-N |
| Mol Weight | 293.37 g/mol |
| Molecular Formula | C19H19NO2 |
| Exact Mass | 293.141579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | tvjt9RGuzW |
|---|---|
| Name | Benzoic acid, 4-(2-methylbutyl)-, 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.141578854 u |
| Formula | C19H19NO2 |
| InChI | InChI=1S/C19H19NO2/c1-3-14(2)12-15-4-8-17(9-5-15)19(21)22-18-10-6-16(13-20)7-11-18/h4-11,14H,3,12H2,1-2H3 |
| InChIKey | BFRBUVLKQOYVGQ-UHFFFAOYSA-N |
| Molecular Weight | 293.366 g/mol |
| SMILES | CCC(C)CC1=CC=C(C=C1)C(=O)OC1=CC=C(C#N)C=C1 |