| SpectraBase Compound ID | 5L4i3QPGhBV |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-12(2)5-4-10-21-16(19)14-6-8-15(9-7-14)17(20)22-11-13(3)18/h6-9,12-13H,4-5,10-11H2,1-3H3 |
| InChIKey | HVDWJPLMXLZPFX-UHFFFAOYSA-N |
| Mol Weight | 326.82 g/mol |
| Molecular Formula | C17H23ClO4 |
| Exact Mass | 326.128487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9b0c5QWZ1FH |
|---|---|
| Name | Terephthalic acid, 2-chloropropyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.128486917 u |
| Formula | C17H23ClO4 |
| InChI | InChI=1S/C17H23ClO4/c1-12(2)5-4-10-21-16(19)14-6-8-15(9-7-14)17(20)22-11-13(3)18/h6-9,12-13H,4-5,10-11H2,1-3H3 |
| InChIKey | HVDWJPLMXLZPFX-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCC(C)Cl)=O)C(OCCCC(C)C)=O |