| SpectraBase Compound ID | EwXdGyc8ooP |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-4-5-9-18-14(16)12-7-6-8-13(10-12)15(17)19-11(2)3/h6-8,10-11H,4-5,9H2,1-3H3 |
| InChIKey | HLNHMNDSIGTCDT-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 | 8wSJnyZgcwk |
|---|---|
| Name | Isophthalic acid, butyl isopropyl 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/c1-4-5-9-18-14(16)12-7-6-8-13(10-12)15(17)19-11(2)3/h6-8,10-11H,4-5,9H2,1-3H3 |
| InChIKey | HLNHMNDSIGTCDT-UHFFFAOYSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | C(OC(C1=CC(=CC=C1)C(OCCCC)=O)=O)(C)C |