| SpectraBase Compound ID | Lm6FkzeaEoL |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-4-12-23-19(21)15-8-7-9-16(13-15)20(22)24-18-11-6-5-10-17(18)14(2)3/h5-11,13-14H,4,12H2,1-3H3 |
| InChIKey | MAGCTMZUBYWKRO-UHFFFAOYSA-N |
| Mol Weight | 326.39 g/mol |
| Molecular Formula | C20H22O4 |
| Exact Mass | 326.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3X0wsQxnS0f |
|---|---|
| Name | Isophthalic acid, 2-isopropylphenyl propyl 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/c1-4-12-23-19(21)15-8-7-9-16(13-15)20(22)24-18-11-6-5-10-17(18)14(2)3/h5-11,13-14H,4,12H2,1-3H3 |
| InChIKey | MAGCTMZUBYWKRO-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C(C1=C(C=CC=C1)OC(C1=CC(=CC=C1)C(OCCC)=O)=O)(C)C |