| SpectraBase Compound ID | KPnSoKwT5FI |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-2-3-4-5-9-15-24-19(21)13-10-14-20(22)25-17-16-23-18-11-7-6-8-12-18/h6-8,11-12H,2-5,9-10,13-17H2,1H3 |
| InChIKey | MJXPQXRPTMXBAH-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 | 4zpeUbsUB9R |
|---|---|
| Name | Glutaric acid, heptyl 2-phenoxyethyl 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/c1-2-3-4-5-9-15-24-19(21)13-10-14-20(22)25-17-16-23-18-11-7-6-8-12-18/h6-8,11-12H,2-5,9-10,13-17H2,1H3 |
| InChIKey | MJXPQXRPTMXBAH-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | C(OCCOC1=CC=CC=C1)(=O)CCCC(OCCCCCCC)=O |