| SpectraBase Compound ID | C97gyXtHTjO |
|---|---|
| InChI | InChI=1S/C18H25ClO4/c1-3-4-5-6-7-11-22-17(20)15-9-8-10-16(12-15)18(21)23-13-14(2)19/h8-10,12,14H,3-7,11,13H2,1-2H3 |
| InChIKey | ZHUIXKTZQCXDPO-UHFFFAOYSA-N |
| Mol Weight | 340.85 g/mol |
| Molecular Formula | C18H25ClO4 |
| Exact Mass | 340.144137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IWquexSz5dn |
|---|---|
| Name | Isophthalic acid, 2-chloropropyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.144136981 u |
| Formula | C18H25ClO4 |
| InChI | InChI=1S/C18H25ClO4/c1-3-4-5-6-7-11-22-17(20)15-9-8-10-16(12-15)18(21)23-13-14(2)19/h8-10,12,14H,3-7,11,13H2,1-2H3 |
| InChIKey | ZHUIXKTZQCXDPO-UHFFFAOYSA-N |
| Molecular Weight | 340.847 g/mol |
| SMILES | C1=CC(=CC(=C1)C(=O)OCCCCCCC)C(OCC(C)Cl)=O |