| SpectraBase Compound ID | LjfyGqlPFki |
|---|---|
| InChI | InChI=1S/C15H19ClO4/c1-10(2)8-19-14(17)12-4-6-13(7-5-12)15(18)20-9-11(3)16/h4-7,10-11H,8-9H2,1-3H3 |
| InChIKey | OXIFJUVHBKBBNV-UHFFFAOYSA-N |
| Mol Weight | 298.77 g/mol |
| Molecular Formula | C15H19ClO4 |
| Exact Mass | 298.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5sZOqQ0LVZJ |
|---|---|
| Name | Terephthalic acid, 2-chloropropyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.097186788 u |
| Formula | C15H19ClO4 |
| InChI | InChI=1S/C15H19ClO4/c1-10(2)8-19-14(17)12-4-6-13(7-5-12)15(18)20-9-11(3)16/h4-7,10-11H,8-9H2,1-3H3 |
| InChIKey | OXIFJUVHBKBBNV-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)C(OCC(C)Cl)=O)C(OCC(C)C)=O |