| SpectraBase Compound ID | I7hPj8zNv1R |
|---|---|
| InChI | InChI=1S/C18H26O6/c1-3-4-5-6-7-12-23-17(19)13-22-14-18(20)24-16-10-8-15(21-2)9-11-16/h8-11H,3-7,12-14H2,1-2H3 |
| InChIKey | UFRLMYRZDRMTIG-UHFFFAOYSA-N |
| Mol Weight | 338.4 g/mol |
| Molecular Formula | C18H26O6 |
| Exact Mass | 338.172939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4BN9eXBf6Xs |
|---|---|
| Name | Diglycolic acid, heptyl 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.172938551 u |
| Formula | C18H26O6 |
| InChI | InChI=1S/C18H26O6/c1-3-4-5-6-7-12-23-17(19)13-22-14-18(20)24-16-10-8-15(21-2)9-11-16/h8-11H,3-7,12-14H2,1-2H3 |
| InChIKey | UFRLMYRZDRMTIG-UHFFFAOYSA-N |
| Molecular Weight | 338.400 g/mol |
| SMILES | C(COCC(=O)OCCCCCCC)(=O)OC1=CC=C(OC)C=C1 |