| SpectraBase Compound ID | JcTZyEPvl4c |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-17(16-10-6-5-7-11-16)23-19(21)13-9-8-12-18(20)22-14-15(2)3/h5-7,10-11,15,17H,4,8-9,12-14H2,1-3H3 |
| InChIKey | WJHHLEUJCANCOV-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6IQQPSuiKEA |
|---|---|
| Name | Adipic acid, isobutyl 1-phenylpropyl 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/c1-4-17(16-10-6-5-7-11-16)23-19(21)13-9-8-12-18(20)22-14-15(2)3/h5-7,10-11,15,17H,4,8-9,12-14H2,1-3H3 |
| InChIKey | WJHHLEUJCANCOV-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(CCCC(=O)OC(CC)C1=CC=CC=C1)C(OCC(C)C)=O |