| SpectraBase Compound ID | E8A4DAWIoGe |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-4-5-6-7-10-13-24-19(21)14-23-15-20(22)25-18-12-9-8-11-17(18)16(2)3/h8-9,11-12,16H,4-7,10,13-15H2,1-3H3 |
| InChIKey | PPSGSKFSSIRVSS-UHFFFAOYSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FpNHIXusf01 |
|---|---|
| Name | Diglycolic acid, heptyl 2-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.209324061 u |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-4-5-6-7-10-13-24-19(21)14-23-15-20(22)25-18-12-9-8-11-17(18)16(2)3/h8-9,11-12,16H,4-7,10,13-15H2,1-3H3 |
| InChIKey | PPSGSKFSSIRVSS-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | C(COCC(=O)OCCCCCCC)(=O)OC1=C(C(C)C)C=CC=C1 |