| SpectraBase Compound ID | GCD69wePtge |
|---|---|
| InChI | InChI=1S/C19H20O5/c1-4-22-18(20)14-8-7-9-15(12-14)19(21)24-17-11-6-5-10-16(17)23-13(2)3/h5-13H,4H2,1-3H3 |
| InChIKey | YIYFMMIVPWKTLV-UHFFFAOYSA-N |
| Mol Weight | 328.36 g/mol |
| Molecular Formula | C19H20O5 |
| Exact Mass | 328.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2dG0V5xg6BF |
|---|---|
| Name | Isophthalic acid, ethyl 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.131073739 u |
| Formula | C19H20O5 |
| InChI | InChI=1S/C19H20O5/c1-4-22-18(20)14-8-7-9-15(12-14)19(21)24-17-11-6-5-10-16(17)23-13(2)3/h5-13H,4H2,1-3H3 |
| InChIKey | YIYFMMIVPWKTLV-UHFFFAOYSA-N |
| Molecular Weight | 328.364 g/mol |
| SMILES | C1=CC(OC(C2=CC(=CC=C2)C(OCC)=O)=O)=C(C=C1)OC(C)C |