| SpectraBase Compound ID | 4hi30ydWeGU |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-2-18-25-21(23)16-10-5-3-4-6-11-17-22(24)26-19-12-15-20-13-8-7-9-14-20/h7-9,13-14H,2-6,10-12,15-19H2,1H3 |
| InChIKey | RPJHVXNPQAWAFW-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 | 3auXyqKrNNx |
|---|---|
| Name | Sebacic acid, 3-phenylpropyl propyl 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/c1-2-18-25-21(23)16-10-5-3-4-6-11-17-22(24)26-19-12-15-20-13-8-7-9-14-20/h7-9,13-14H,2-6,10-12,15-19H2,1H3 |
| InChIKey | RPJHVXNPQAWAFW-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(CCCCCCC(OCCCC1=CC=CC=C1)=O)CC(OCCC)=O |