| SpectraBase Compound ID | 4Xt5eVgmtpo |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-3-4-5-6-10-21-16(19)14-8-7-9-15(11-14)17(20)22-12-13(2)18/h7-9,11,13H,3-6,10,12H2,1-2H3 |
| InChIKey | FHFKGXIPVVLTBL-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 | 2e9PpvgXbyv |
|---|---|
| Name | Isophthalic acid, 2-chloropropyl hexyl 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/c1-3-4-5-6-10-21-16(19)14-8-7-9-15(11-14)17(20)22-12-13(2)18/h7-9,11,13H,3-6,10,12H2,1-2H3 |
| InChIKey | FHFKGXIPVVLTBL-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C1=CC(=CC(=C1)C(=O)OCCCCCC)C(OCC(C)Cl)=O |