| SpectraBase Compound ID | 5VgXoPb3T3h |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-3-4-13-23-19(21)17-11-7-8-12-18(17)20(22)24-14-16-10-6-5-9-15(16)2/h5-12H,3-4,13-14H2,1-2H3 |
| InChIKey | RCFLSNXRQNTKJC-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 | Eh3FnD8jztu |
|---|---|
| Name | Phthalic acid, butyl 2-methylbenzyl 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/c1-3-4-13-23-19(21)17-11-7-8-12-18(17)20(22)24-14-16-10-6-5-9-15(16)2/h5-12H,3-4,13-14H2,1-2H3 |
| InChIKey | RCFLSNXRQNTKJC-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C1=CC(=C(C=C1)C(=O)OCC1=CC=CC=C1C)C(=O)OCCCC |