| SpectraBase Compound ID | Jevvy8HWqxh |
|---|---|
| InChI | InChI=1S/C16H22O6/c1-3-4-9-21-15(17)11-20-12-16(18)22-10-13-5-7-14(19-2)8-6-13/h5-8H,3-4,9-12H2,1-2H3 |
| InChIKey | CTJUMKDMFCJCIN-UHFFFAOYSA-N |
| Mol Weight | 310.35 g/mol |
| Molecular Formula | C16H22O6 |
| Exact Mass | 310.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HjII8iKMoFk |
|---|---|
| Name | Diglycolic acid, butyl 4-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.141638422 u |
| Formula | C16H22O6 |
| InChI | InChI=1S/C16H22O6/c1-3-4-9-21-15(17)11-20-12-16(18)22-10-13-5-7-14(19-2)8-6-13/h5-8H,3-4,9-12H2,1-2H3 |
| InChIKey | CTJUMKDMFCJCIN-UHFFFAOYSA-N |
| Molecular Weight | 310.346 g/mol |
| SMILES | C(COCC(=O)OCCCC)(=O)OCC1=CC=C(OC)C=C1 |