| SpectraBase Compound ID | 8OxP6NIJh7x |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-4-13-21-17(19)11-7-8-12-18(20)23-16-10-6-5-9-15(16)22-14(2)3/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3 |
| InChIKey | KTCJAWXXOZONSN-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 | AEI4PbFf74Z |
|---|---|
| Name | Adipic acid, 2-isopropoxyphenyl propyl 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/c1-4-13-21-17(19)11-7-8-12-18(20)23-16-10-6-5-9-15(16)22-14(2)3/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3 |
| InChIKey | KTCJAWXXOZONSN-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C(CCC(=O)OC1=CC=CC=C1OC(C)C)CC(OCCC)=O |