| SpectraBase Compound ID | BiRLcieD7JV |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-4-9-13(10-5-2)21-17(19)15-12-8-7-11-14(15)16(18)20-6-3/h7-8,11-13H,4-6,9-10H2,1-3H3 |
| InChIKey | BCOUDCXUPQVLQM-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 | Ewo6y4unXIK |
|---|---|
| Name | Phthalic acid, ethyl hept-4-yl 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/c1-4-9-13(10-5-2)21-17(19)15-12-8-7-11-14(15)16(18)20-6-3/h7-8,11-13H,4-6,9-10H2,1-3H3 |
| InChIKey | BCOUDCXUPQVLQM-UHFFFAOYSA-N |
| SMILES | C1=CC(=C(C=C1)C(OC(CCC)CCC)=O)C(OCC)=O |