| SpectraBase Compound ID | CSOLP4aB55H |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-3-5-6-11-17-24-20(22)15-9-10-16-21(23)25-19-14-8-7-13-18(19)12-4-2/h7-8,13-14H,3-6,9-12,15-17H2,1-2H3 |
| InChIKey | MHCWXZIFDFRNIF-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FRzepfHdUsW |
|---|---|
| Name | Adipic acid, hexyl 2-propylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-3-5-6-11-17-24-20(22)15-9-10-16-21(23)25-19-14-8-7-13-18(19)12-4-2/h7-8,13-14H,3-6,9-12,15-17H2,1-2H3 |
| InChIKey | MHCWXZIFDFRNIF-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C(CCCC(OC=1C(CCC)=CC=CC1)=O)C(OCCCCCC)=O |