| SpectraBase Compound ID | 3Xf0uEzW0yN |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-3-4-5-13-21-17(19)7-6-8-18(20)22-14-16-11-9-15(2)10-12-16/h9-12H,3-8,13-14H2,1-2H3 |
| InChIKey | YLNZEMCMHYQYDN-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7A7pzgbS20z |
|---|---|
| Name | Glutaric acid, 4-methylbenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-3-4-5-13-21-17(19)7-6-8-18(20)22-14-16-11-9-15(2)10-12-16/h9-12H,3-8,13-14H2,1-2H3 |
| InChIKey | YLNZEMCMHYQYDN-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(OCC=1C=CC(=CC1)C)(=O)CCCC(OCCCCC)=O |