| SpectraBase Compound ID | 2s43QiD8L7b |
|---|---|
| InChI | InChI=1S/C22H34O5/c1-3-4-17-26-21(23)11-9-7-5-6-8-10-12-22(24)27-18-19-13-15-20(25-2)16-14-19/h13-16H,3-12,17-18H2,1-2H3 |
| InChIKey | QRMJOVYSPSTNNW-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 | A1e1JJPG34H |
|---|---|
| Name | Sebacic acid, butyl 4-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)11-9-7-5-6-8-10-12-22(24)27-18-19-13-15-20(25-2)16-14-19/h13-16H,3-12,17-18H2,1-2H3 |
| InChIKey | QRMJOVYSPSTNNW-UHFFFAOYSA-N |
| Molecular Weight | 378.509 g/mol |
| SMILES | C(CCCCCCC(OCC1=CC=C(OC)C=C1)=O)CC(OCCCC)=O |