| SpectraBase Compound ID | FFwFUXP5Q5p |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-5-6-7-12-17(4)23-19(21)14-9-8-13-18(20)22-15-10-11-16(2)3/h16-17H,5-15H2,1-4H3 |
| InChIKey | QQXCEIYYGFVTJW-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 | HwyddkPFK59 |
|---|---|
| Name | Adipic acid, 2-heptyl iso-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/c1-5-6-7-12-17(4)23-19(21)14-9-8-13-18(20)22-15-10-11-16(2)3/h16-17H,5-15H2,1-4H3 |
| InChIKey | QQXCEIYYGFVTJW-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | CCCCCC(OC(CCCCC(OCCCC(C)C)=O)=O)C |