| SpectraBase Compound ID | F4FgW6j9GCm |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-4-5-6-8-16(2)25-20(22)10-7-9-19(21)24-15-17-11-13-18(23-3)14-12-17/h11-14,16H,4-10,15H2,1-3H3 |
| InChIKey | FWNOKRNGKLQZII-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 | 5pwR9kw8eSP |
|---|---|
| Name | Glutaric acid, hept-2-yl 4-methoxybenzyl 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/c1-4-5-6-8-16(2)25-20(22)10-7-9-19(21)24-15-17-11-13-18(23-3)14-12-17/h11-14,16H,4-10,15H2,1-3H3 |
| InChIKey | FWNOKRNGKLQZII-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OCC1=CC=C(C=C1)OC)=O |