| SpectraBase Compound ID | 166x52UFjkQ |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-3-4-7-14-22-17(19)8-5-6-9-18(20)23-16-12-10-15(21-2)11-13-16/h10-13H,3-9,14H2,1-2H3 |
| InChIKey | BZNGJKJFFGWUTN-UHFFFAOYSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F4pAtQSdNfy |
|---|---|
| Name | Adipic acid, 4-methoxyphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.178023932 u |
| Formula | C18H26O5 |
| InChI | InChI=1S/C18H26O5/c1-3-4-7-14-22-17(19)8-5-6-9-18(20)23-16-12-10-15(21-2)11-13-16/h10-13H,3-9,14H2,1-2H3 |
| InChIKey | BZNGJKJFFGWUTN-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C(COC(CCCCC(=O)OC1=CC=C(OC)C=C1)=O)CCC |