| SpectraBase Compound ID | 532yaGzR3Ia |
|---|---|
| InChI | InChI=1S/C16H22O5/c1-4-5-8-20-15(17)10-19-11-16(18)21-14-9-12(2)6-7-13(14)3/h6-7,9H,4-5,8,10-11H2,1-3H3 |
| InChIKey | QJJKCMWCTOAZJW-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 | D79hcigW42f |
|---|---|
| Name | Diglycolic acid, butyl 2,5-dimethylphenyl 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/c1-4-5-8-20-15(17)10-19-11-16(18)21-14-9-12(2)6-7-13(14)3/h6-7,9H,4-5,8,10-11H2,1-3H3 |
| InChIKey | QJJKCMWCTOAZJW-UHFFFAOYSA-N |
| Molecular Weight | 294.347 g/mol |
| SMILES | C(COCC(=O)OCCCC)(=O)OC1=C(C=CC(=C1)C)C |