| SpectraBase Compound ID | 93pY9N5y0Ds |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-7-8-14-23-19(21)16-12-9-13-17(15-16)20(22)24-18(10-5-2)11-6-3/h9,12-13,15,18H,4-8,10-11,14H2,1-3H3 |
| InChIKey | KODPWPXJTGAFIV-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 | JEUxhPR0Sb |
|---|---|
| Name | Isophthalic acid, pentyl 1-propylbutyl 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/c1-4-7-8-14-23-19(21)16-12-9-13-17(15-16)20(22)24-18(10-5-2)11-6-3/h9,12-13,15,18H,4-8,10-11,14H2,1-3H3 |
| InChIKey | KODPWPXJTGAFIV-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C1=CC(=CC(=C1)C(=O)OCCCCC)C(OC(CCC)CCC)=O |