| SpectraBase Compound ID | 3HlNqePnYva |
|---|---|
| InChI | InChI=1S/C20H24O5/c1-15(2)6-5-11-24-19(21)13-23-14-20(22)25-18-10-9-16-7-3-4-8-17(16)12-18/h3-4,7-10,12,15H,5-6,11,13-14H2,1-2H3 |
| InChIKey | JXZCTQNGFAHKPH-UHFFFAOYSA-N |
| Mol Weight | 344.41 g/mol |
| Molecular Formula | C20H24O5 |
| Exact Mass | 344.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CAiVgFpyAT7 |
|---|---|
| Name | Diglycolic acid, isohexyl 2-naphthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.162373868 u |
| Formula | C20H24O5 |
| InChI | InChI=1S/C20H24O5/c1-15(2)6-5-11-24-19(21)13-23-14-20(22)25-18-10-9-16-7-3-4-8-17(16)12-18/h3-4,7-10,12,15H,5-6,11,13-14H2,1-2H3 |
| InChIKey | JXZCTQNGFAHKPH-UHFFFAOYSA-N |
| Molecular Weight | 344.407 g/mol |
| SMILES | C(COCC(=O)OCCCC(C)C)(=O)OC1=CC2=C(C=C1)C=CC=C2 |