| SpectraBase Compound ID | 7MZsupXk2Th |
|---|---|
| InChI | InChI=1S/C21H20O2/c1-2-3-6-16-9-11-18(12-10-16)21(22)23-20-14-13-17-7-4-5-8-19(17)15-20/h4-5,7-15H,2-3,6H2,1H3 |
| InChIKey | DIGPSVUCITZYQS-UHFFFAOYSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C21H20O2 |
| Exact Mass | 304.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4zKDcyL0zum |
|---|---|
| Name | 4-Butylbenzoic acid, 2-naphthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.146329882 u |
| Formula | C21H20O2 |
| InChI | InChI=1S/C21H20O2/c1-2-3-6-16-9-11-18(12-10-16)21(22)23-20-14-13-17-7-4-5-8-19(17)15-20/h4-5,7-15H,2-3,6H2,1H3 |
| InChIKey | DIGPSVUCITZYQS-UHFFFAOYSA-N |
| Molecular Weight | 304.389 g/mol |
| SMILES | CCCCC1=CC=C(C=C1)C(=O)OC1=CC=C2C=CC=CC2=C1 |