| SpectraBase Compound ID | FGLQOyVEOOK |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-9-16-10-5-6-11-17(16)23-19(21)13-8-7-12-18(20)22-14-15(2)3/h5-6,10-11,15H,4,7-9,12-14H2,1-3H3 |
| InChIKey | FXGIJMKNEUIIGT-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 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 | 7PkV0cUMMMZ |
|---|---|
| Name | Adipic acid, isobutyl 2-propylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-4-9-16-10-5-6-11-17(16)23-19(21)13-8-7-12-18(20)22-14-15(2)3/h5-6,10-11,15H,4,7-9,12-14H2,1-3H3 |
| InChIKey | FXGIJMKNEUIIGT-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(CCCC(OC=1C(CCC)=CC=CC1)=O)C(OCC(C)C)=O |