| SpectraBase Compound ID | JvB7tTB5r8N |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-4-5-6-9-15-23-19(21)13-10-14-20(22)25-18-12-8-7-11-17(18)24-16(2)3/h7-8,11-12,16H,4-6,9-10,13-15H2,1-3H3 |
| InChIKey | OLTHROVSFZREGO-UHFFFAOYSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | h8xiJfHbts |
|---|---|
| Name | Glutaric acid, hexyl 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.209324061 u |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-4-5-6-9-15-23-19(21)13-10-14-20(22)25-18-12-8-7-11-17(18)24-16(2)3/h7-8,11-12,16H,4-6,9-10,13-15H2,1-3H3 |
| InChIKey | OLTHROVSFZREGO-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | CCCCCCOC(CCCC(OC1=CC=CC=C1OC(C)C)=O)=O |