| SpectraBase Compound ID | 8MudcALJlom |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-4-19-12-11-13-20(16-19)26-22(24)15-10-8-6-5-7-9-14-21(23)25-17-18(2)3/h11-13,16,18H,4-10,14-15,17H2,1-3H3 |
| InChIKey | IVPHLBSYSHRPMN-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 | 6IXVG1YzMGx |
|---|---|
| Name | Sebacic acid, 3-ethylphenyl isobutyl 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/c1-4-19-12-11-13-20(16-19)26-22(24)15-10-8-6-5-7-9-14-21(23)25-17-18(2)3/h11-13,16,18H,4-10,14-15,17H2,1-3H3 |
| InChIKey | IVPHLBSYSHRPMN-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(CCCCCC(OC1=CC(CC)=CC=C1)=O)CCC(OCC(C)C)=O |