| SpectraBase Compound ID | 3PxhurGhXhL |
|---|---|
| InChI | InChI=1S/C18H26O7/c1-4-5-6-7-11-24-16(19)12-23-13-17(20)25-18-14(21-2)9-8-10-15(18)22-3/h8-10H,4-7,11-13H2,1-3H3 |
| InChIKey | HFDRAMPSTHRARC-UHFFFAOYSA-N |
| Mol Weight | 354.4 g/mol |
| Molecular Formula | C18H26O7 |
| Exact Mass | 354.167853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5y1m9eqkv4x |
|---|---|
| Name | Diglycolic acid, 2,6-dimethoxyphenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.167853170 u |
| Formula | C18H26O7 |
| InChI | InChI=1S/C18H26O7/c1-4-5-6-7-11-24-16(19)12-23-13-17(20)25-18-14(21-2)9-8-10-15(18)22-3/h8-10H,4-7,11-13H2,1-3H3 |
| InChIKey | HFDRAMPSTHRARC-UHFFFAOYSA-N |
| Molecular Weight | 354.399 g/mol |
| SMILES | C(COCC(=O)OCCCCCC)(=O)OC1=C(C=CC=C1OC)OC |