| SpectraBase Compound ID | AudOj0qkN8t |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-5-6-7-8-11-14-22-18(20)12-9-10-13-19(21)23-17(4)15-16(2)3/h16-17H,5-15H2,1-4H3 |
| InChIKey | HSQOTXYSDKEXNT-UHFFFAOYSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C19H36O4 |
| Exact Mass | 328.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 19gWCOHXwmF |
|---|---|
| Name | Adipic acid, heptyl 4-methylpent-2-yl 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/c1-5-6-7-8-11-14-22-18(20)12-9-10-13-19(21)23-17(4)15-16(2)3/h16-17H,5-15H2,1-4H3 |
| InChIKey | HSQOTXYSDKEXNT-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(C(OC(C)CC(C)C)=O)CCCC(OCCCCCCC)=O |