| SpectraBase Compound ID | KkdEXgmSONG |
|---|---|
| InChI | InChI=1S/C19H28O7/c1-4-5-6-7-8-12-25-17(20)13-24-14-18(21)26-19-15(22-2)10-9-11-16(19)23-3/h9-11H,4-8,12-14H2,1-3H3 |
| InChIKey | OBXRDTPVPHLBDH-UHFFFAOYSA-N |
| Mol Weight | 368.43 g/mol |
| Molecular Formula | C19H28O7 |
| Exact Mass | 368.183503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUqCSRbhqAn |
|---|---|
| Name | Diglycolic acid, 2,6-dimethoxyphenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.183503235 u |
| Formula | C19H28O7 |
| InChI | InChI=1S/C19H28O7/c1-4-5-6-7-8-12-25-17(20)13-24-14-18(21)26-19-15(22-2)10-9-11-16(19)23-3/h9-11H,4-8,12-14H2,1-3H3 |
| InChIKey | OBXRDTPVPHLBDH-UHFFFAOYSA-N |
| Molecular Weight | 368.426 g/mol |
| SMILES | C(COCC(=O)OCCCCCCC)(=O)OC1=C(C=CC=C1OC)OC |