| SpectraBase Compound ID | 9SUBvfUAoPB |
|---|---|
| InChI | InChI=1S/C25H40O5/c1-3-4-5-6-7-8-9-10-11-12-13-21-29-24(26)15-14-16-25(27)30-23-19-17-22(28-2)18-20-23/h17-20H,3-16,21H2,1-2H3 |
| InChIKey | IZFNTFZVCPLTPC-UHFFFAOYSA-N |
| Mol Weight | 420.6 g/mol |
| Molecular Formula | C25H40O5 |
| Exact Mass | 420.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KaUZhTbXqrJ |
|---|---|
| Name | Glutaric acid, 4-methoxyphenyl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.287574383 u |
| Formula | C25H40O5 |
| InChI | InChI=1S/C25H40O5/c1-3-4-5-6-7-8-9-10-11-12-13-21-29-24(26)15-14-16-25(27)30-23-19-17-22(28-2)18-20-23/h17-20H,3-16,21H2,1-2H3 |
| InChIKey | IZFNTFZVCPLTPC-UHFFFAOYSA-N |
| Molecular Weight | 420.590 g/mol |
| SMILES | CCCCCCCCCCCCCOC(CCCC(OC1=CC=C(C=C1)OC)=O)=O |