| SpectraBase Compound ID | GO0N56teaqF |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-4-6-11-20-16(18)14-9-7-10-15(12-14)17(19)21-13(3)8-5-2/h7,9-10,12-13H,4-6,8,11H2,1-3H3 |
| InChIKey | WSEOZWFSQPPGLJ-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H2vKeibcX9q |
|---|---|
| Name | Isophthalic acid, butyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-4-6-11-20-16(18)14-9-7-10-15(12-14)17(19)21-13(3)8-5-2/h7,9-10,12-13H,4-6,8,11H2,1-3H3 |
| InChIKey | WSEOZWFSQPPGLJ-UHFFFAOYSA-N |
| SMILES | CCCCOC(C=1C=C(C(OC(CCC)C)=O)C=CC1)=O |