| SpectraBase Compound ID | KAk6lvQ6vcv |
|---|---|
| InChI | InChI=1S/C20H22O5/c1-4-12-23-19(21)15-8-7-9-16(13-15)20(22)25-18-11-6-5-10-17(18)24-14(2)3/h5-11,13-14H,4,12H2,1-3H3 |
| InChIKey | JLGXDIBFODWUSU-UHFFFAOYSA-N |
| Mol Weight | 342.39 g/mol |
| Molecular Formula | C20H22O5 |
| Exact Mass | 342.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Am59v13hR56 |
|---|---|
| Name | Isophthalic acid, 2-isopropoxyphenyl propyl 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/c1-4-12-23-19(21)15-8-7-9-16(13-15)20(22)25-18-11-6-5-10-17(18)24-14(2)3/h5-11,13-14H,4,12H2,1-3H3 |
| InChIKey | JLGXDIBFODWUSU-UHFFFAOYSA-N |
| Molecular Weight | 342.391 g/mol |
| SMILES | C1=CC(OC(C2=CC(=CC=C2)C(OCCC)=O)=O)=C(C=C1)OC(C)C |