| SpectraBase Compound ID | Ao6RG0MAqJD |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-4-8-15(9-5-2)21-17(19)14-11-7-10-13(12-14)16(18)20-6-3/h7,10-12,15H,4-6,8-9H2,1-3H3 |
| InChIKey | JKHZOIORDLAJQU-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 | HX85YRdTY93 |
|---|---|
| Name | Isophthalic acid, ethyl 1-propylbutyl 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/c1-4-8-15(9-5-2)21-17(19)14-11-7-10-13(12-14)16(18)20-6-3/h7,10-12,15H,4-6,8-9H2,1-3H3 |
| InChIKey | JKHZOIORDLAJQU-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC(=C1)C(=O)OCC)C(OC(CCC)CCC)=O |