| SpectraBase Compound ID | KOG0RFDcTWU |
|---|---|
| InChI | InChI=1S/C20H18O7/c1-13(21)15-7-3-5-9-17(15)26-19(23)11-25-12-20(24)27-18-10-6-4-8-16(18)14(2)22/h3-10H,11-12H2,1-2H3 |
| InChIKey | VVMWPLAKJAFVAP-UHFFFAOYSA-N |
| Mol Weight | 370.36 g/mol |
| Molecular Formula | C20H18O7 |
| Exact Mass | 370.105253 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6WVdVmMw5Tt |
|---|---|
| Name | Diglycolic acid, di(2-acetylphenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.105252913 u |
| Formula | C20H18O7 |
| InChI | InChI=1S/C20H18O7/c1-13(21)15-7-3-5-9-17(15)26-19(23)11-25-12-20(24)27-18-10-6-4-8-16(18)14(2)22/h3-10H,11-12H2,1-2H3 |
| InChIKey | VVMWPLAKJAFVAP-UHFFFAOYSA-N |
| Molecular Weight | 370.357 g/mol |
| SMILES | C(COCC(=O)OC=1C(C(C)=O)=CC=CC1)(=O)OC1=C(C=CC=C1)C(C)=O |