| SpectraBase Compound ID | HryXMF7DVN5 |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-3-4-5-6-14-22-18(20)8-7-9-19(21)23-15-17-12-10-16(2)11-13-17/h10-13H,3-9,14-15H2,1-2H3 |
| InChIKey | CCRSWIZYCNAHRS-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1MdIvqxijVL |
|---|---|
| Name | Glutaric acid, hexyl 4-methylbenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-3-4-5-6-14-22-18(20)8-7-9-19(21)23-15-17-12-10-16(2)11-13-17/h10-13H,3-9,14-15H2,1-2H3 |
| InChIKey | CCRSWIZYCNAHRS-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(OCC=1C=CC(=CC1)C)(=O)CCCC(OCCCCCC)=O |