| SpectraBase Compound ID | Il5rO96ScGm |
|---|---|
| InChI | InChI=1S/C15H20O7/c1-4-8-21-13(16)9-20-10-14(17)22-15-11(18-2)6-5-7-12(15)19-3/h5-7H,4,8-10H2,1-3H3 |
| InChIKey | SIXVHWZENADROY-UHFFFAOYSA-N |
| Mol Weight | 312.32 g/mol |
| Molecular Formula | C15H20O7 |
| Exact Mass | 312.120903 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LSThE4LUMtw |
|---|---|
| Name | Diglycolic acid, 2,6-dimethoxyphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.120902977 u |
| Formula | C15H20O7 |
| InChI | InChI=1S/C15H20O7/c1-4-8-21-13(16)9-20-10-14(17)22-15-11(18-2)6-5-7-12(15)19-3/h5-7H,4,8-10H2,1-3H3 |
| InChIKey | SIXVHWZENADROY-UHFFFAOYSA-N |
| Molecular Weight | 312.318 g/mol |
| SMILES | C(COCC(=O)OCCC)(=O)OC1=C(C=CC=C1OC)OC |