| SpectraBase Compound ID | ErjHTPpQ4GR |
|---|---|
| InChI | InChI=1S/C19H27ClO4/c1-3-4-5-6-7-8-12-23-18(21)16-10-9-11-17(13-16)19(22)24-14-15(2)20/h9-11,13,15H,3-8,12,14H2,1-2H3 |
| InChIKey | UEPRZLTVNDRCJD-UHFFFAOYSA-N |
| Mol Weight | 354.87 g/mol |
| Molecular Formula | C19H27ClO4 |
| Exact Mass | 354.159787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AoEFLcNF0fC |
|---|---|
| Name | Isophthalic acid, 2-chloropropyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.159787045 u |
| Formula | C19H27ClO4 |
| InChI | InChI=1S/C19H27ClO4/c1-3-4-5-6-7-8-12-23-18(21)16-10-9-11-17(13-16)19(22)24-14-15(2)20/h9-11,13,15H,3-8,12,14H2,1-2H3 |
| InChIKey | UEPRZLTVNDRCJD-UHFFFAOYSA-N |
| Molecular Weight | 354.874 g/mol |
| SMILES | C1=CC(=CC(=C1)C(=O)OCCCCCCCC)C(OCC(C)Cl)=O |