| SpectraBase Compound ID | IFf9XNc82YC |
|---|---|
| InChI | InChI=1S/C22H34O5/c1-3-4-5-6-7-8-11-17-26-21(23)15-12-16-22(24)27-18-19-13-9-10-14-20(19)25-2/h9-10,13-14H,3-8,11-12,15-18H2,1-2H3 |
| InChIKey | CRRNODHQVCJBFA-UHFFFAOYSA-N |
| Mol Weight | 378.5 g/mol |
| Molecular Formula | C22H34O5 |
| Exact Mass | 378.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BeP1jPnwArw |
|---|---|
| Name | Glutaric acid, 2-methoxybenzyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.240624190 u |
| Formula | C22H34O5 |
| InChI | InChI=1S/C22H34O5/c1-3-4-5-6-7-8-11-17-26-21(23)15-12-16-22(24)27-18-19-13-9-10-14-20(19)25-2/h9-10,13-14H,3-8,11-12,15-18H2,1-2H3 |
| InChIKey | CRRNODHQVCJBFA-UHFFFAOYSA-N |
| Molecular Weight | 378.509 g/mol |
| SMILES | C(OCC=1C(OC)=CC=CC1)(=O)CCCC(OCCCCCCCCC)=O |