| SpectraBase Compound ID | JeQHXzAQWLe |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-3-5-13-23-19(21)17-11-6-7-12-18(17)20(22)24-16-10-8-9-15(4-2)14-16/h6-12,14H,3-5,13H2,1-2H3 |
| InChIKey | MUYKWIICGQGASV-UHFFFAOYSA-N |
| Mol Weight | 326.39 g/mol |
| Molecular Formula | C20H22O4 |
| Exact Mass | 326.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4bSCvSLlWLK |
|---|---|
| Name | Phthalic acid, butyl 3-ethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.151809184 u |
| Formula | C20H22O4 |
| InChI | InChI=1S/C20H22O4/c1-3-5-13-23-19(21)17-11-6-7-12-18(17)20(22)24-16-10-8-9-15(4-2)14-16/h6-12,14H,3-5,13H2,1-2H3 |
| InChIKey | MUYKWIICGQGASV-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCC)=O)C(OC1=CC=CC(CC)=C1)=O |