| SpectraBase Compound ID | 1MC4e2omy8D |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-4-7-8-9-10-11-12-16-26-22(24)20-14-13-15-21(17-20)23(25)27-18-19(5-2)6-3/h13-15,17,19H,4-12,16,18H2,1-3H3 |
| InChIKey | KBNNVMKPRVGNEQ-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 | AbMA60WxrOl |
|---|---|
| Name | Isophthalic acid, 2-ethylbutyl nonyl 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/c1-4-7-8-9-10-11-12-16-26-22(24)20-14-13-15-21(17-20)23(25)27-18-19(5-2)6-3/h13-15,17,19H,4-12,16,18H2,1-3H3 |
| InChIKey | KBNNVMKPRVGNEQ-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | C1(=CC=CC(=C1)C(=O)OCCCCCCCCC)C(OCC(CC)CC)=O |