| SpectraBase Compound ID | 1O2B9isUE0S |
|---|---|
| InChI | InChI=1S/C16H22O5/c1-2-20-15(18)11-7-6-10-14(12-17)21-16(19)13-8-4-3-5-9-13/h3-5,8-9,14,17H,2,6-7,10-12H2,1H3/t14-/m0/s1 |
| InChIKey | PCIVTWUAJKQWFL-AWEZNQCLSA-N |
| Mol Weight | 294.35 g/mol |
| Molecular Formula | C16H22O5 |
| Exact Mass | 294.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6HGdIXwycTv |
|---|---|
| Name | Ethyl 6(S)-(benzoyloxy)-7-hydroxyheptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.146723803 u |
| Formula | C16H22O5 |
| InChI | InChI=1S/C16H22O5/c1-2-20-15(18)11-7-6-10-14(12-17)21-16(19)13-8-4-3-5-9-13/h3-5,8-9,14,17H,2,6-7,10-12H2,1H3/t14-/m0/s1 |
| InChIKey | PCIVTWUAJKQWFL-AWEZNQCLSA-N |
| Molecular Weight | 294.347 g/mol |
| SMILES | C(O[C@](CO)(CCCCC(=O)OCC)[H])(=O)C1=CC=CC=C1 |