| SpectraBase Compound ID | DQQkR2YqlIT |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-4-11(3)10-19-15(17)13-8-6-7-12(9-13)14(16)18-5-2/h6-9,11H,4-5,10H2,1-3H3 |
| InChIKey | CQBQQCIIHPLINM-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 | EzW14Y2UWpH |
|---|---|
| Name | Isophthalic acid, ethyl 2-methylbutyl 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/c1-4-11(3)10-19-15(17)13-8-6-7-12(9-13)14(16)18-5-2/h6-9,11H,4-5,10H2,1-3H3 |
| InChIKey | CQBQQCIIHPLINM-UHFFFAOYSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | CC(CC)COC(C1=CC(=CC=C1)C(OCC)=O)=O |