| SpectraBase Compound ID | 7k7GZYjD63n |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-2-3-4-5-6-12-18-25-21(23)15-10-11-16-22(24)26-19-17-20-13-8-7-9-14-20/h7-9,13-14H,2-6,10-12,15-19H2,1H3 |
| InChIKey | LDBXYLLFQONHED-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 | 7b8Vyk6EFRN |
|---|---|
| Name | Adipic acid, octyl 2-phenylethyl 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/c1-2-3-4-5-6-12-18-25-21(23)15-10-11-16-22(24)26-19-17-20-13-8-7-9-14-20/h7-9,13-14H,2-6,10-12,15-19H2,1H3 |
| InChIKey | LDBXYLLFQONHED-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(=O)(CCCCC(OCCCCCCCC)=O)OCCC1=CC=CC=C1 |