| SpectraBase Compound ID | CkeWc6T9QE6 |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-5-6-7-8-10-16(4)24-20(22)18-12-9-11-17(13-18)19(21)23-14-15(2)3/h9,11-13,15-16H,5-8,10,14H2,1-4H3 |
| InChIKey | YIDSFOYEVOVOSK-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 | Dg51wrXa0Bh |
|---|---|
| Name | Isophthalic acid, isobutyl 2-octyl 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/c1-5-6-7-8-10-16(4)24-20(22)18-12-9-11-17(13-18)19(21)23-14-15(2)3/h9,11-13,15-16H,5-8,10,14H2,1-4H3 |
| InChIKey | YIDSFOYEVOVOSK-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(OC(C1=CC(=CC=C1)C(OCC(C)C)=O)=O)(CCCCCC)C |