| SpectraBase Compound ID | FIkIJyKSzFz |
|---|---|
| InChI | InChI=1S/C18H24O6/c1-3-4-5-6-11-23-17(20)12-22-13-18(21)24-16-9-7-15(8-10-16)14(2)19/h7-10H,3-6,11-13H2,1-2H3 |
| InChIKey | QCJQTTMIKHEZMC-UHFFFAOYSA-N |
| Mol Weight | 336.38 g/mol |
| Molecular Formula | C18H24O6 |
| Exact Mass | 336.157288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DnnUPTXqdrh |
|---|---|
| Name | Diglycolic acid, 4-acetylphenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.157288487 u |
| Formula | C18H24O6 |
| InChI | InChI=1S/C18H24O6/c1-3-4-5-6-11-23-17(20)12-22-13-18(21)24-16-9-7-15(8-10-16)14(2)19/h7-10H,3-6,11-13H2,1-2H3 |
| InChIKey | QCJQTTMIKHEZMC-UHFFFAOYSA-N |
| Molecular Weight | 336.384 g/mol |
| SMILES | C(COCC(=O)OCCCCCC)(=O)OC1=CC=C(C(C)=O)C=C1 |