| SpectraBase Compound ID | Lf7b8uICLJz |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-3-5-17-25-21(23)15-10-8-6-7-9-11-16-22(24)26-20-14-12-13-19(4-2)18-20/h12-14,18H,3-11,15-17H2,1-2H3 |
| InChIKey | RSISQRUSHXQTJG-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9RpfVgoEl14 |
|---|---|
| Name | Sebacic acid, butyl 3-ethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-3-5-17-25-21(23)15-10-8-6-7-9-11-16-22(24)26-20-14-12-13-19(4-2)18-20/h12-14,18H,3-11,15-17H2,1-2H3 |
| InChIKey | RSISQRUSHXQTJG-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(CCCCCC(OC1=CC(CC)=CC=C1)=O)CCC(OCCCC)=O |