| SpectraBase Compound ID | 1zPqXBNyZYU |
|---|---|
| InChI | InChI=1S/C18H24O6/c1-3-4-5-8-11-23-17(20)12-22-13-18(21)24-16-10-7-6-9-15(16)14(2)19/h6-7,9-10H,3-5,8,11-13H2,1-2H3 |
| InChIKey | IVUFZHQECWBYKG-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 | DBQhA40XPZC |
|---|---|
| Name | Diglycolic acid, 2-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/c1-3-4-5-8-11-23-17(20)12-22-13-18(21)24-16-10-7-6-9-15(16)14(2)19/h6-7,9-10H,3-5,8,11-13H2,1-2H3 |
| InChIKey | IVUFZHQECWBYKG-UHFFFAOYSA-N |
| Molecular Weight | 336.384 g/mol |
| SMILES | C(COCC(=O)OCCCCCC)(=O)OC1=C(C=CC=C1)C(C)=O |