| SpectraBase Compound ID | 9lQpPf091BO |
|---|---|
| InChI | InChI=1S/C22H34O5/c1-3-4-17-26-21(23)15-9-7-5-6-8-10-16-22(24)27-18-19-13-11-12-14-20(19)25-2/h11-14H,3-10,15-18H2,1-2H3 |
| InChIKey | DOEHWJDNYQXVHL-UHFFFAOYSA-N |
| Mol Weight | 378.5 g/mol |
| Molecular Formula | C22H34O5 |
| Exact Mass | 378.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E9OiIgmnYWY |
|---|---|
| Name | Sebacic acid, butyl 2-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.240624190 u |
| Formula | C22H34O5 |
| InChI | InChI=1S/C22H34O5/c1-3-4-17-26-21(23)15-9-7-5-6-8-10-16-22(24)27-18-19-13-11-12-14-20(19)25-2/h11-14H,3-10,15-18H2,1-2H3 |
| InChIKey | DOEHWJDNYQXVHL-UHFFFAOYSA-N |
| Molecular Weight | 378.509 g/mol |
| SMILES | C(CCCCCCC(OCCCC)=O)CC(OCC=1C(OC)=CC=CC1)=O |