| SpectraBase Compound ID | AaHQJUEynDr |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-7-8-11-14(5-2)22-18(20)16-13-10-9-12-15(16)17(19)21-6-3/h9-10,12-14H,4-8,11H2,1-3H3 |
| InChIKey | TWDJYUMQGWUPFJ-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AlquLHeq9iE |
|---|---|
| Name | Phthalic acid, ethyl oct-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-4-7-8-11-14(5-2)22-18(20)16-13-10-9-12-15(16)17(19)21-6-3/h9-10,12-14H,4-8,11H2,1-3H3 |
| InChIKey | TWDJYUMQGWUPFJ-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(C1=CC=CC=C1C(OC(CCCCC)CC)=O)(OCC)=O |