| SpectraBase Compound ID | 2OzDv45gmut |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-13(17(3,4)5)21-15(19)11-9-10-12-16(20)22-14(2)18(6,7)8/h13-14H,9-12H2,1-8H3 |
| InChIKey | LIIWLPQEOZDNDG-UHFFFAOYSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C18H34O4 |
| Exact Mass | 314.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | s7PYIzuSBt |
|---|---|
| Name | Adipic acid, di(3,3-dimethylbut-2-yl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.245709571 u |
| Formula | C18H34O4 |
| InChI | InChI=1S/C18H34O4/c1-13(17(3,4)5)21-15(19)11-9-10-12-16(20)22-14(2)18(6,7)8/h13-14H,9-12H2,1-8H3 |
| InChIKey | LIIWLPQEOZDNDG-UHFFFAOYSA-N |
| SMILES | C(OC(C(C)(C)C)C)(CCCCC(OC(C(C)(C)C)C)=O)=O |