| SpectraBase Compound ID | 9vCr5NKlgfL |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-18(2)16-25-21(23)14-8-6-4-5-7-9-15-22(24)26-17-20-13-11-10-12-19(20)3/h10-13,18H,4-9,14-17H2,1-3H3 |
| InChIKey | FMYVHSSQJDZBDH-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 | 1lc1qhGJRBR |
|---|---|
| Name | Sebacic acid, isobutyl 2-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/c1-18(2)16-25-21(23)14-8-6-4-5-7-9-15-22(24)26-17-20-13-11-10-12-19(20)3/h10-13,18H,4-9,14-17H2,1-3H3 |
| InChIKey | FMYVHSSQJDZBDH-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(CCCCCCC(OCC(C)C)=O)CC(OCC=1C(C)=CC=CC1)=O |