| SpectraBase Compound ID | FwnjfVLROmF |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-2-3-4-5-6-7-13-19-26-22(24)16-11-12-17-23(25)27-20-18-21-14-9-8-10-15-21/h8-10,14-15H,2-7,11-13,16-20H2,1H3 |
| InChIKey | HEZKWPWSVPKVTA-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C23H36O4 |
| Exact Mass | 376.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8xCBywi7O4l |
|---|---|
| Name | Adipic acid, nonyl 2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.261359635 u |
| Formula | C23H36O4 |
| InChI | InChI=1S/C23H36O4/c1-2-3-4-5-6-7-13-19-26-22(24)16-11-12-17-23(25)27-20-18-21-14-9-8-10-15-21/h8-10,14-15H,2-7,11-13,16-20H2,1H3 |
| InChIKey | HEZKWPWSVPKVTA-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | C(=O)(CCCCC(OCCCCCCCCC)=O)OCCC1=CC=CC=C1 |