| SpectraBase Compound ID | EiHdjyYLwZB |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-16(2)8-6-12-23-18(20)14-22-15-19(21)24-13-7-11-17-9-4-3-5-10-17/h3-5,9-10,16H,6-8,11-15H2,1-2H3 |
| InChIKey | YMPSKPASOXLNMY-UHFFFAOYSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C19H28O5 |
| Exact Mass | 336.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cn2lRLIb6xg |
|---|---|
| Name | Diglycolic acid, isohexyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.193673997 u |
| Formula | C19H28O5 |
| InChI | InChI=1S/C19H28O5/c1-16(2)8-6-12-23-18(20)14-22-15-19(21)24-13-7-11-17-9-4-3-5-10-17/h3-5,9-10,16H,6-8,11-15H2,1-2H3 |
| InChIKey | YMPSKPASOXLNMY-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | C(COCC(=O)OCCCC(C)C)(=O)OCCCC1=CC=CC=C1 |