| SpectraBase Compound ID | 3aTtPreRDbY |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-3-5-7-9-13-17-23-19(21)15-11-10-14-18(20)22-16-12-8-6-4-2/h3-17H2,1-2H3 |
| InChIKey | IJKRMAPDKIUPAY-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 | 8SDSi7tniyn |
|---|---|
| Name | Adipic acid, heptyl hexyl 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/c1-3-5-7-9-13-17-23-19(21)15-11-10-14-18(20)22-16-12-8-6-4-2/h3-17H2,1-2H3 |
| InChIKey | IJKRMAPDKIUPAY-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(CCC(=O)OCCCCCC)CC(OCCCCCCC)=O |