| SpectraBase Compound ID | JYfrDIQFxMc |
|---|---|
| InChI | InChI=1S/C17H24O5/c1-3-4-5-6-10-21-16(18)12-20-13-17(19)22-15-9-7-8-14(2)11-15/h7-9,11H,3-6,10,12-13H2,1-2H3 |
| InChIKey | DIFSUVCSJUWIEZ-UHFFFAOYSA-N |
| Mol Weight | 308.37 g/mol |
| Molecular Formula | C17H24O5 |
| Exact Mass | 308.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ad2lB2AEllF |
|---|---|
| Name | Diglycolic acid, hexyl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.162373868 u |
| Formula | C17H24O5 |
| InChI | InChI=1S/C17H24O5/c1-3-4-5-6-10-21-16(18)12-20-13-17(19)22-15-9-7-8-14(2)11-15/h7-9,11H,3-6,10,12-13H2,1-2H3 |
| InChIKey | DIFSUVCSJUWIEZ-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCCCCCC)(=O)OC1=CC(=CC=C1)C |