| SpectraBase Compound ID | EyNavCJRR7m |
|---|---|
| InChI | InChI=1S/C16H22O5/c1-13(2)10-21-16(18)12-19-11-15(17)20-9-8-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3 |
| InChIKey | FFMVZFKFLQNJKN-UHFFFAOYSA-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 | 79em3KW7qe9 |
|---|---|
| Name | Diglycolic acid, isobutyl phenethyl ester |
| 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/c1-13(2)10-21-16(18)12-19-11-15(17)20-9-8-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3 |
| InChIKey | FFMVZFKFLQNJKN-UHFFFAOYSA-N |
| Molecular Weight | 294.347 g/mol |
| SMILES | C(COCC(=O)OCC(C)C)(=O)OCCC1=CC=CC=C1 |