| SpectraBase Compound ID | 8bSnihz4dfe |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-3-4-12-20-16(18)6-5-7-17(19)21-13-15-10-8-14(2)9-11-15/h8-11H,3-7,12-13H2,1-2H3 |
| InChIKey | FCFRUYVYVAXDLN-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FwBelhrybvp |
|---|---|
| Name | Glutaric acid, butyl 4-methylbenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-3-4-12-20-16(18)6-5-7-17(19)21-13-15-10-8-14(2)9-11-15/h8-11H,3-7,12-13H2,1-2H3 |
| InChIKey | FCFRUYVYVAXDLN-UHFFFAOYSA-N |
| SMILES | C(OCC=1C=CC(=CC1)C)(=O)CCCC(OCCCC)=O |