| SpectraBase Compound ID | 2OqbkkwCHGG |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-5-18-14(16)12-7-6-8-13(9-12)15(17)19-11(4)10(2)3/h6-11H,5H2,1-4H3 |
| InChIKey | FARIRUQNOWBQQI-UHFFFAOYSA-N |
| Mol Weight | 264.32 g/mol |
| Molecular Formula | C15H20O4 |
| Exact Mass | 264.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | oNAgJ94gWr |
|---|---|
| Name | Isophthalic acid, ethyl 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.136159120 u |
| Formula | C15H20O4 |
| InChI | InChI=1S/C15H20O4/c1-5-18-14(16)12-7-6-8-13(9-12)15(17)19-11(4)10(2)3/h6-11H,5H2,1-4H3 |
| InChIKey | FARIRUQNOWBQQI-UHFFFAOYSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | CC(C)C(C)OC(C1=CC(=CC=C1)C(OCC)=O)=O |