| SpectraBase Compound ID | 6CdOyzy0yfs |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-3-4-13-18-26-22(24)16-9-7-5-6-8-10-17-23(25)27-19-21-15-12-11-14-20(21)2/h11-12,14-15H,3-10,13,16-19H2,1-2H3 |
| InChIKey | LWEJFOGEUDVMRD-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C23H36O4 |
| Exact Mass | 376.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ZuXXr10IJw |
|---|---|
| Name | Sebacic acid, 2-methylbenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.261359635 u |
| Formula | C23H36O4 |
| InChI | InChI=1S/C23H36O4/c1-3-4-13-18-26-22(24)16-9-7-5-6-8-10-17-23(25)27-19-21-15-12-11-14-20(21)2/h11-12,14-15H,3-10,13,16-19H2,1-2H3 |
| InChIKey | LWEJFOGEUDVMRD-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | C(CCCCCCC(OCCCCC)=O)CC(OCC=1C(C)=CC=CC1)=O |