| SpectraBase Compound ID | 3pfubt2sQfZ |
|---|---|
| InChI | InChI=1S/C23H34O5/c1-2-3-4-11-18-27-22(25)12-9-7-5-6-8-10-13-23(26)28-21-16-14-20(19-24)15-17-21/h14-17,19H,2-13,18H2,1H3 |
| InChIKey | KTHPBQGJSBLFMD-UHFFFAOYSA-N |
| Mol Weight | 390.5 g/mol |
| Molecular Formula | C23H34O5 |
| Exact Mass | 390.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ATwi7vqpko7 |
|---|---|
| Name | Sebacic acid, 4-formylphenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.240624190 u |
| Formula | C23H34O5 |
| InChI | InChI=1S/C23H34O5/c1-2-3-4-11-18-27-22(25)12-9-7-5-6-8-10-13-23(26)28-21-16-14-20(19-24)15-17-21/h14-17,19H,2-13,18H2,1H3 |
| InChIKey | KTHPBQGJSBLFMD-UHFFFAOYSA-N |
| Molecular Weight | 390.520 g/mol |
| SMILES | C(CCCCCCC(OC1=CC=C(C=O)C=C1)=O)CC(OCCCCCC)=O |