| SpectraBase Compound ID | CB4Su7MHzQI |
|---|---|
| InChI | InChI=1S/C21H20O2/c1-2-20(18-9-4-3-5-10-18)21(22)23-15-16-12-13-17-8-6-7-11-19(17)14-16/h3-14,20H,2,15H2,1H3 |
| InChIKey | REMBVPSKNNWYIO-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 | FinrvFWGz3H |
|---|---|
| Name | Butyric acid, 2-phenyl-, naphth-2-ylmethyl 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/c1-2-20(18-9-4-3-5-10-18)21(22)23-15-16-12-13-17-8-6-7-11-19(17)14-16/h3-14,20H,2,15H2,1H3 |
| InChIKey | REMBVPSKNNWYIO-UHFFFAOYSA-N |
| Molecular Weight | 304.389 g/mol |
| SMILES | C(C(C(OCC1=CC2=C(C=CC=C2)C=C1)=O)C1=CC=CC=C1)C |