| SpectraBase Compound ID | 3jGJFVHjgvL |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-3-5-15-22-18(20)13-8-9-14-19(21)23-17-12-7-6-11-16(17)10-4-2/h6-7,11-12H,3-5,8-10,13-15H2,1-2H3 |
| InChIKey | PMVRXLCBEWICEX-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 | ErBpLLth0SQ |
|---|---|
| Name | Adipic acid, butyl 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/c1-3-5-15-22-18(20)13-8-9-14-19(21)23-17-12-7-6-11-16(17)10-4-2/h6-7,11-12H,3-5,8-10,13-15H2,1-2H3 |
| InChIKey | PMVRXLCBEWICEX-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(CCCC(OC=1C(CCC)=CC=CC1)=O)C(OCCCC)=O |