| SpectraBase Compound ID | JiRauPYx0jd |
|---|---|
| InChI | InChI=1S/C17H24O5/c1-13(2)11-21-16(18)9-6-10-17(19)22-12-14-7-4-5-8-15(14)20-3/h4-5,7-8,13H,6,9-12H2,1-3H3 |
| InChIKey | LWRCCODEFLRXTH-UHFFFAOYSA-N |
| Mol Weight | 308.37 g/mol |
| Molecular Formula | C17H24O5 |
| Exact Mass | 308.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3RpTJx6C738 |
|---|---|
| Name | Glutaric acid, isobutyl 2-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.162373868 u |
| Formula | C17H24O5 |
| InChI | InChI=1S/C17H24O5/c1-13(2)11-21-16(18)9-6-10-17(19)22-12-14-7-4-5-8-15(14)20-3/h4-5,7-8,13H,6,9-12H2,1-3H3 |
| InChIKey | LWRCCODEFLRXTH-UHFFFAOYSA-N |
| SMILES | C(OCC=1C(OC)=CC=CC1)(=O)CCCC(OCC(C)C)=O |