| SpectraBase Compound ID | 35lU8aUBneg |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-13(2)12-21-17(19)10-5-6-11-18(20)22-16-9-7-8-14(3)15(16)4/h7-9,13H,5-6,10-12H2,1-4H3 |
| InChIKey | WLAAZWPBTZUWOS-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IUmAUawYWL1 |
|---|---|
| Name | Adipic acid, 2,3-dimethylphenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-13(2)12-21-17(19)10-5-6-11-18(20)22-16-9-7-8-14(3)15(16)4/h7-9,13H,5-6,10-12H2,1-4H3 |
| InChIKey | WLAAZWPBTZUWOS-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(CCCC(OC1=C(C(C)=CC=C1)C)=O)C(OCC(C)C)=O |