| SpectraBase Compound ID | 26CnH8fzXD0 |
|---|---|
| InChI | InChI=1S/C17H26O3/c1-3-4-8-15(11-13-19-2)12-14-20-17(18)16-9-6-5-7-10-16/h5-7,9-10,15H,3-4,8,11-14H2,1-2H3 |
| InChIKey | DQZUKUSMWHVXAM-UHFFFAOYSA-N |
| Mol Weight | 278.39 g/mol |
| Molecular Formula | C17H26O3 |
| Exact Mass | 278.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EnIdyKbiXSQ |
|---|---|
| Name | Benzoic acid, 3-(2-methoxyethyl)heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.188194694 u |
| Formula | C17H26O3 |
| InChI | InChI=1S/C17H26O3/c1-3-4-8-15(11-13-19-2)12-14-20-17(18)16-9-6-5-7-10-16/h5-7,9-10,15H,3-4,8,11-14H2,1-2H3 |
| InChIKey | DQZUKUSMWHVXAM-UHFFFAOYSA-N |
| Molecular Weight | 278.392 g/mol |
| SMILES | COCCC(CCCC)CCOC(C1=CC=CC=C1)=O |