| SpectraBase Compound ID | 90v0XTGZRcu |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-4-5-11-23-19(21)16-7-6-8-17(13-16)20(22)24-18-12-14(2)9-10-15(18)3/h6-10,12-13H,4-5,11H2,1-3H3 |
| InChIKey | GYULITVZPLDCKZ-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 | 7qecAnAE6nP |
|---|---|
| Name | Isophthalic acid, butyl 2,5-dimethylphenyl 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/c1-4-5-11-23-19(21)16-7-6-8-17(13-16)20(22)24-18-12-14(2)9-10-15(18)3/h6-10,12-13H,4-5,11H2,1-3H3 |
| InChIKey | GYULITVZPLDCKZ-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | CC1=C(C=C(C=C1)C)OC(C1=CC(=CC=C1)C(OCCCC)=O)=O |