| SpectraBase Compound ID | GfVWyP4hgaU |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-7-8-9-13-22-18(20)15-11-10-12-16(14-15)19(21)23-17(5-2)6-3/h10-12,14,17H,4-9,13H2,1-3H3 |
| InChIKey | BJHZWUONZWVNFN-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LmZEIhExrHw |
|---|---|
| Name | Isophthalic acid, hexyl 3-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-4-7-8-9-13-22-18(20)15-11-10-12-16(14-15)19(21)23-17(5-2)6-3/h10-12,14,17H,4-9,13H2,1-3H3 |
| InChIKey | BJHZWUONZWVNFN-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CCCCCCOC(C1=CC(=CC=C1)C(OC(CC)CC)=O)=O |