| SpectraBase Compound ID | 1wp1aRgzlht |
|---|---|
| InChI | InChI=1S/C18H16Cl2O4/c1-2-3-10-23-17(21)12-6-4-7-13(11-12)18(22)24-15-9-5-8-14(19)16(15)20/h4-9,11H,2-3,10H2,1H3 |
| InChIKey | DGLYZHBAABTHGP-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 | 1z6nFQqyXED |
|---|---|
| Name | Isophthalic acid, butyl 2,3-dichlorophenyl 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/c1-2-3-10-23-17(21)12-6-4-7-13(11-12)18(22)24-15-9-5-8-14(19)16(15)20/h4-9,11H,2-3,10H2,1H3 |
| InChIKey | DGLYZHBAABTHGP-UHFFFAOYSA-N |
| Molecular Weight | 367.228 g/mol |
| SMILES | C1=C(C(=C(C=C1)Cl)Cl)OC(C1=CC(=CC=C1)C(OCCCC)=O)=O |