| SpectraBase Compound ID | 7MNdflbPGAO |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-3-5-15-22-18(20)13-9-10-14-19(21)23-17(4-2)16-11-7-6-8-12-16/h6-8,11-12,17H,3-5,9-10,13-15H2,1-2H3 |
| InChIKey | UREXEWVVZICDFD-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 | 9cMcCBeYDnP |
|---|---|
| Name | Adipic acid, butyl 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/c1-3-5-15-22-18(20)13-9-10-14-19(21)23-17(4-2)16-11-7-6-8-12-16/h6-8,11-12,17H,3-5,9-10,13-15H2,1-2H3 |
| InChIKey | UREXEWVVZICDFD-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(CCCC(=O)OC(CC)C1=CC=CC=C1)C(OCCCC)=O |