| SpectraBase Compound ID | BiDaZ5faXjX |
|---|---|
| InChI | InChI=1S/C20H24O2/c1-2-3-4-11-16-19(21)22-20(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5-10,12-15,20H,2-4,11,16H2,1H3 |
| InChIKey | UFFNQAWPVQBXPU-UHFFFAOYSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C20H24O2 |
| Exact Mass | 296.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjwVaPMFpX7 |
|---|---|
| Name | Benzhydryl heptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.177630011 u |
| Formula | C20H24O2 |
| InChI | InChI=1S/C20H24O2/c1-2-3-4-11-16-19(21)22-20(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5-10,12-15,20H,2-4,11,16H2,1H3 |
| InChIKey | UFFNQAWPVQBXPU-UHFFFAOYSA-N |
| SMILES | C(OC(=O)CCCCCC)(C1=CC=CC=C1)C=1C=CC=CC1 |