| SpectraBase Compound ID | 8DhbAF2m9pE |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-3-5-6-7-10-16-24-20(22)14-8-9-15-21(23)25-19-13-11-12-18(4-2)17-19/h11-13,17H,3-10,14-16H2,1-2H3 |
| InChIKey | QWMWDJWPIXYMCK-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 | Lau2fPesIxm |
|---|---|
| Name | Adipic acid, 3-ethylphenyl heptyl 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/c1-3-5-6-7-10-16-24-20(22)14-8-9-15-21(23)25-19-13-11-12-18(4-2)17-19/h11-13,17H,3-10,14-16H2,1-2H3 |
| InChIKey | QWMWDJWPIXYMCK-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C(CCC(OC1=CC=CC(CC)=C1)=O)CC(OCCCCCCC)=O |