| SpectraBase Compound ID | 2u12KVHSf51 |
|---|---|
| InChI | InChI=1S/C20H32O2/c1-3-5-7-8-9-10-11-17-22-20(21)19-15-13-18(14-16-19)12-6-4-2/h13-16H,3-12,17H2,1-2H3 |
| InChIKey | XKLMVDBBEMBEFD-UHFFFAOYSA-N |
| Mol Weight | 304.5 g/mol |
| Molecular Formula | C20H32O2 |
| Exact Mass | 304.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7nA8r7mDsZa |
|---|---|
| Name | 4-Butylbenzoic acid, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.240230268 u |
| Formula | C20H32O2 |
| InChI | InChI=1S/C20H32O2/c1-3-5-7-8-9-10-11-17-22-20(21)19-15-13-18(14-16-19)12-6-4-2/h13-16H,3-12,17H2,1-2H3 |
| InChIKey | XKLMVDBBEMBEFD-UHFFFAOYSA-N |
| Molecular Weight | 304.474 g/mol |
| SMILES | C(OCCCCCCCCC)(=O)C1=CC=C(CCCC)C=C1 |