| SpectraBase Compound ID | DgcPKNGaPdk |
|---|---|
| InChI | InChI=1S/C16H22O5/c1-4-19-15(17)10-7-11-16(18)21-14-9-6-5-8-13(14)20-12(2)3/h5-6,8-9,12H,4,7,10-11H2,1-3H3 |
| InChIKey | GEWFBLSUOQVEPF-UHFFFAOYSA-N |
| Mol Weight | 294.35 g/mol |
| Molecular Formula | C16H22O5 |
| Exact Mass | 294.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3bGrQ0oBaGv |
|---|---|
| Name | Glutaric acid, ethyl 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.146723803 u |
| Formula | C16H22O5 |
| InChI | InChI=1S/C16H22O5/c1-4-19-15(17)10-7-11-16(18)21-14-9-6-5-8-13(14)20-12(2)3/h5-6,8-9,12H,4,7,10-11H2,1-3H3 |
| InChIKey | GEWFBLSUOQVEPF-UHFFFAOYSA-N |
| Molecular Weight | 294.347 g/mol |
| SMILES | CC(C)OC=1C=CC=CC1OC(=O)CCCC(OCC)=O |