| SpectraBase Compound ID | JTuCzTOrAFg |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-4-5-10-15-23-19(21)13-8-9-14-20(22)25-18-12-7-6-11-17(18)24-16(2)3/h6-7,11-12,16H,4-5,8-10,13-15H2,1-3H3 |
| InChIKey | ULMOUKQHOAJXOC-UHFFFAOYSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7oKdPq1JiSc |
|---|---|
| Name | Adipic acid, 2-isopropoxyphenyl pentyl 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/c1-4-5-10-15-23-19(21)13-8-9-14-20(22)25-18-12-7-6-11-17(18)24-16(2)3/h6-7,11-12,16H,4-5,8-10,13-15H2,1-3H3 |
| InChIKey | ULMOUKQHOAJXOC-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | C(CC(=O)OC1=CC=CC=C1OC(C)C)CCC(OCCCCC)=O |