| SpectraBase Compound ID | 3NhxY4gT5lR |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-4-15-8-7-9-16(12-15)24-20(22)18-11-6-5-10-17(18)19(21)23-13-14(2)3/h5-12,14H,4,13H2,1-3H3 |
| InChIKey | FFVSIBUNYGAZOK-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 | 6Zp4ZuTeFDg |
|---|---|
| Name | Phthalic acid, 3-ethylphenyl isobutyl 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/c1-4-15-8-7-9-16(12-15)24-20(22)18-11-6-5-10-17(18)19(21)23-13-14(2)3/h5-12,14H,4,13H2,1-3H3 |
| InChIKey | FFVSIBUNYGAZOK-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C1(=CC=CC=C1C(OCC(C)C)=O)C(OC1=CC=CC(CC)=C1)=O |