| SpectraBase Compound ID | AuMoCy9CbEi |
|---|---|
| InChI | InChI=1S/C18H16Cl2O4/c1-11(2)10-23-17(21)12-4-3-5-13(8-12)18(22)24-16-7-6-14(19)9-15(16)20/h3-9,11H,10H2,1-2H3 |
| InChIKey | BYUPVEBOXJVECO-UHFFFAOYSA-N |
| Mol Weight | 367.23 g/mol |
| Molecular Formula | C18H16Cl2O4 |
| Exact Mass | 366.042564 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6O1U29dE9Le |
|---|---|
| Name | Isophthalic acid, 2,4-dichlorophenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.042564391 u |
| Formula | C18H16Cl2O4 |
| InChI | InChI=1S/C18H16Cl2O4/c1-11(2)10-23-17(21)12-4-3-5-13(8-12)18(22)24-16-7-6-14(19)9-15(16)20/h3-9,11H,10H2,1-2H3 |
| InChIKey | BYUPVEBOXJVECO-UHFFFAOYSA-N |
| Molecular Weight | 367.228 g/mol |
| SMILES | C1=CC(OC(C2=CC(=CC=C2)C(OCC(C)C)=O)=O)=C(C=C1Cl)Cl |