| SpectraBase Compound ID | E000KmkiqsA |
|---|---|
| InChI | InChI=1S/C20H22O5/c1-14(2)12-24-19(21)16-5-4-6-17(11-16)20(22)25-13-15-7-9-18(23-3)10-8-15/h4-11,14H,12-13H2,1-3H3 |
| InChIKey | ZEOAXCLUOITMBJ-UHFFFAOYSA-N |
| Mol Weight | 342.39 g/mol |
| Molecular Formula | C20H22O5 |
| Exact Mass | 342.146724 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 | KHpvtoZUnKi |
|---|---|
| Name | Isophthalic acid, isobutyl 4-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.146723803 u |
| Formula | C20H22O5 |
| InChI | InChI=1S/C20H22O5/c1-14(2)12-24-19(21)16-5-4-6-17(11-16)20(22)25-13-15-7-9-18(23-3)10-8-15/h4-11,14H,12-13H2,1-3H3 |
| InChIKey | ZEOAXCLUOITMBJ-UHFFFAOYSA-N |
| Molecular Weight | 342.391 g/mol |
| SMILES | C1(=CC=C(C=C1)OC)COC(C1=CC(=CC=C1)C(OCC(C)C)=O)=O |