| SpectraBase Compound ID | FNprgZKqnUf |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-2-3-13-19-15(17)11-7-8-12-16(18)20-14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3 |
| InChIKey | QTVLQHKARMQDQM-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7vYULTdoxE0 |
|---|---|
| Name | Adipic acid, butyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-2-3-13-19-15(17)11-7-8-12-16(18)20-14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3 |
| InChIKey | QTVLQHKARMQDQM-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | CCCCOC(CCCCC(=O)OC1=CC=CC=C1)=O |