| SpectraBase Compound ID | 9Rb9nwpsoM0 |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-4-5-12-23-19(21)17-8-6-7-9-18(17)20(22)24-16-11-10-14(2)15(3)13-16/h6-11,13H,4-5,12H2,1-3H3 |
| InChIKey | JVSDVVJNEYLYPV-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 | 5GFKVXIF3Ut |
|---|---|
| Name | Phthalic acid, butyl 3,4-dimethylphenyl 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/c1-4-5-12-23-19(21)17-8-6-7-9-18(17)20(22)24-16-11-10-14(2)15(3)13-16/h6-11,13H,4-5,12H2,1-3H3 |
| InChIKey | JVSDVVJNEYLYPV-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | CCCCOC(C1=C(C(OC2=CC=C(C(=C2)C)C)=O)C=CC=C1)=O |