| SpectraBase Compound ID | D80q1pulvDy |
|---|---|
| InChI | InChI=1S/C21H23ClO4/c1-2-3-4-5-6-15-25-20(23)16-7-9-17(10-8-16)21(24)26-19-13-11-18(22)12-14-19/h7-14H,2-6,15H2,1H3 |
| InChIKey | SWKACQNOEBKPRN-UHFFFAOYSA-N |
| Mol Weight | 374.86 g/mol |
| Molecular Formula | C21H23ClO4 |
| Exact Mass | 374.128487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4BAAkst6sGo |
|---|---|
| Name | Terephthalic acid, 4-chlorophenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.128486917 u |
| Formula | C21H23ClO4 |
| InChI | InChI=1S/C21H23ClO4/c1-2-3-4-5-6-15-25-20(23)16-7-9-17(10-8-16)21(24)26-19-13-11-18(22)12-14-19/h7-14H,2-6,15H2,1H3 |
| InChIKey | SWKACQNOEBKPRN-UHFFFAOYSA-N |
| Molecular Weight | 374.864 g/mol |
| SMILES | CCCCCCCOC(C1=CC=C(C=C1)C(OC=1C=CC(=CC1)Cl)=O)=O |