| SpectraBase Compound ID | 6KrD86ZFvb5 |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-6-7-8-9-12-15-22-17(20)13-10-11-14-18(21)23-16(2)19(3,4)5/h16H,6-15H2,1-5H3 |
| InChIKey | BAFMJYQCAHVRAL-UHFFFAOYSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C19H36O4 |
| Exact Mass | 328.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9TG37LRHyrJ |
|---|---|
| Name | Adipic acid, 3,3-dimethylbut-2-yl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.261359635 u |
| Formula | C19H36O4 |
| InChI | InChI=1S/C19H36O4/c1-6-7-8-9-12-15-22-17(20)13-10-11-14-18(21)23-16(2)19(3,4)5/h16H,6-15H2,1-5H3 |
| InChIKey | BAFMJYQCAHVRAL-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(OC(C(C)(C)C)C)(CCCCC(OCCCCCCC)=O)=O |