| SpectraBase Compound ID | FxjT9SYx5qf |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-14(2)11-12-23-19(21)17-9-4-5-10-18(17)20(22)24-16-8-6-7-15(3)13-16/h4-10,13-14H,11-12H2,1-3H3 |
| InChIKey | RYBVNPIEOULPRP-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 | 123jbikILIR |
|---|---|
| Name | Phthalic acid, isopentyl 3-methylphenyl 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/c1-14(2)11-12-23-19(21)17-9-4-5-10-18(17)20(22)24-16-8-6-7-15(3)13-16/h4-10,13-14H,11-12H2,1-3H3 |
| InChIKey | RYBVNPIEOULPRP-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C(OC1=CC=CC(=C1)C)(=O)C1=C(C=CC=C1)C(OCCC(C)C)=O |