| SpectraBase Compound ID | 4C1wixarRlr |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-5-15(6-2)12-13-18(7-3)24-20(22)17-11-9-10-16(14-17)19(21)23-8-4/h9-11,14-15,18H,5-8,12-13H2,1-4H3 |
| InChIKey | DRKLGTGXSCYPOK-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FDTH09VrEo0 |
|---|---|
| Name | Isophthalic acid, ethyl 6-ethyloct-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-5-15(6-2)12-13-18(7-3)24-20(22)17-11-9-10-16(14-17)19(21)23-8-4/h9-11,14-15,18H,5-8,12-13H2,1-4H3 |
| InChIKey | DRKLGTGXSCYPOK-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(OC(CCC(CC)CC)CC)=O)(OCC)=O |