| SpectraBase Compound ID | E0WJRZXhQz5 |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-4-8-15(3)23-19(21)17-11-5-6-12-18(17)20(22)24-16-10-7-9-14(2)13-16/h5-7,9-13,15H,4,8H2,1-3H3 |
| InChIKey | RSWIHJLAZYLQCB-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 | 6qc0j8V18Vg |
|---|---|
| Name | Phthalic acid, 3-methylphenyl 2-pentyl 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/c1-4-8-15(3)23-19(21)17-11-5-6-12-18(17)20(22)24-16-10-7-9-14(2)13-16/h5-7,9-13,15H,4,8H2,1-3H3 |
| InChIKey | RSWIHJLAZYLQCB-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC(CCC)C)=O)C(OC1=CC(C)=CC=C1)=O |