| SpectraBase Compound ID | 4RHv7HEwFF9 |
|---|---|
| InChI | InChI=1S/C17H24O7/c1-4-5-6-10-23-15(18)11-22-12-16(19)24-17-13(20-2)8-7-9-14(17)21-3/h7-9H,4-6,10-12H2,1-3H3 |
| InChIKey | VZJFYFHJXZRHCS-UHFFFAOYSA-N |
| Mol Weight | 340.37 g/mol |
| Molecular Formula | C17H24O7 |
| Exact Mass | 340.152203 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LCu2bdlq8AD |
|---|---|
| Name | Diglycolic acid, 2,6-dimethoxyphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.152203106 u |
| Formula | C17H24O7 |
| InChI | InChI=1S/C17H24O7/c1-4-5-6-10-23-15(18)11-22-12-16(19)24-17-13(20-2)8-7-9-14(17)21-3/h7-9H,4-6,10-12H2,1-3H3 |
| InChIKey | VZJFYFHJXZRHCS-UHFFFAOYSA-N |
| Molecular Weight | 340.372 g/mol |
| SMILES | C(COCC(=O)OCCCCC)(=O)OC1=C(C=CC=C1OC)OC |