| SpectraBase Compound ID | CjtI0a3SbeL |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-3-4-11-20-16(18)9-6-10-17(19)21-13-15-8-5-7-14(2)12-15/h5,7-8,12H,3-4,6,9-11,13H2,1-2H3 |
| InChIKey | KHKRLGRTYIDNHZ-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 | EzOnfFKruLH |
|---|---|
| Name | Glutaric acid, butyl 3-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/c1-3-4-11-20-16(18)9-6-10-17(19)21-13-15-8-5-7-14(2)12-15/h5,7-8,12H,3-4,6,9-11,13H2,1-2H3 |
| InChIKey | KHKRLGRTYIDNHZ-UHFFFAOYSA-N |
| SMILES | C(OCC1=CC(=CC=C1)C)(=O)CCCC(OCCCC)=O |