| SpectraBase Compound ID | BjowTwiwAYi |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-3-5-7-8-9-10-15-24-20(22)18-13-11-12-17(16-18)19(21)23-14-6-4-2/h11-13,16H,3-10,14-15H2,1-2H3 |
| InChIKey | KSYGRHAEZGGZGL-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 | AHprIaSBXbx |
|---|---|
| Name | Isophthalic acid, butyl 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/c1-3-5-7-8-9-10-15-24-20(22)18-13-11-12-17(16-18)19(21)23-14-6-4-2/h11-13,16H,3-10,14-15H2,1-2H3 |
| InChIKey | KSYGRHAEZGGZGL-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | CCCCCCCCOC(C=1C=C(C(=O)OCCCC)C=CC1)=O |