| SpectraBase Compound ID | GnOSTeHTVoK |
|---|---|
| InChI | InChI=1S/C23H36O5/c1-3-5-6-7-8-9-10-11-12-16-27-22(24)20-14-13-15-21(19-20)23(25)28-18-17-26-4-2/h13-15,19H,3-12,16-18H2,1-2H3 |
| InChIKey | SAIPYCIBSSVTBW-UHFFFAOYSA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C23H36O5 |
| Exact Mass | 392.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6LBrFQ6dJcA |
|---|---|
| Name | Isophthalic acid, 2-ethoxyethyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.256274254 u |
| Formula | C23H36O5 |
| InChI | InChI=1S/C23H36O5/c1-3-5-6-7-8-9-10-11-12-16-27-22(24)20-14-13-15-21(19-20)23(25)28-18-17-26-4-2/h13-15,19H,3-12,16-18H2,1-2H3 |
| InChIKey | SAIPYCIBSSVTBW-UHFFFAOYSA-N |
| Molecular Weight | 392.536 g/mol |
| SMILES | C1=C(C=CC=C1C(OCCCCCCCCCCC)=O)C(OCCOCC)=O |