| SpectraBase Compound ID | 87nm6SzRCn7 |
|---|---|
| InChI | InChI=1S/C18H16Cl2O4/c1-2-3-10-23-17(21)12-4-6-13(7-5-12)18(22)24-14-8-9-15(19)16(20)11-14/h4-9,11H,2-3,10H2,1H3 |
| InChIKey | OQSGJEGKUYHTEF-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 | ASeHCOZ9IOM |
|---|---|
| Name | Terephthalic acid, butyl 3,4-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)12-4-6-13(7-5-12)18(22)24-14-8-9-15(19)16(20)11-14/h4-9,11H,2-3,10H2,1H3 |
| InChIKey | OQSGJEGKUYHTEF-UHFFFAOYSA-N |
| Molecular Weight | 367.228 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCC)=O)C(OC1=CC=C(C(=C1)Cl)Cl)=O |