| SpectraBase Compound ID | HoDYl5Q6FXz |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-3-4-17-25-21(23)11-9-7-5-6-8-10-12-22(24)26-18-20-15-13-19(2)14-16-20/h13-16H,3-12,17-18H2,1-2H3 |
| InChIKey | XCHVHMCLWPNDLH-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 | LEIYVpJrruG |
|---|---|
| Name | Sebacic acid, butyl 4-methylbenzyl 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/c1-3-4-17-25-21(23)11-9-7-5-6-8-10-12-22(24)26-18-20-15-13-19(2)14-16-20/h13-16H,3-12,17-18H2,1-2H3 |
| InChIKey | XCHVHMCLWPNDLH-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(CCCCCCC(OCCCC)=O)CC(OCC=1C=CC(=CC1)C)=O |