| SpectraBase Compound ID | ABZKUw92NNz |
|---|---|
| InChI | InChI=1S/C20H21ClO4/c1-2-3-4-7-14-24-19(22)15-10-12-16(13-11-15)20(23)25-18-9-6-5-8-17(18)21/h5-6,8-13H,2-4,7,14H2,1H3 |
| InChIKey | FBWZHKOHGSACJQ-UHFFFAOYSA-N |
| Mol Weight | 360.84 g/mol |
| Molecular Formula | C20H21ClO4 |
| Exact Mass | 360.112837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BcWvESZR4wp |
|---|---|
| Name | Terephthalic acid, 2-chlorophenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.112836852 u |
| Formula | C20H21ClO4 |
| InChI | InChI=1S/C20H21ClO4/c1-2-3-4-7-14-24-19(22)15-10-12-16(13-11-15)20(23)25-18-9-6-5-8-17(18)21/h5-6,8-13H,2-4,7,14H2,1H3 |
| InChIKey | FBWZHKOHGSACJQ-UHFFFAOYSA-N |
| Molecular Weight | 360.837 g/mol |
| SMILES | CCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OC1=CC=CC=C1Cl |