| SpectraBase Compound ID | GQcE9rCPT6H |
|---|---|
| InChI | InChI=1S/C19H19ClO4/c1-2-3-4-12-23-18(21)14-8-10-15(11-9-14)19(22)24-17-7-5-6-16(20)13-17/h5-11,13H,2-4,12H2,1H3 |
| InChIKey | AXENEGRPAHEPSW-UHFFFAOYSA-N |
| Mol Weight | 346.81 g/mol |
| Molecular Formula | C19H19ClO4 |
| Exact Mass | 346.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HysDB38ye1H |
|---|---|
| Name | Terephthalic acid, 3-chlorophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.097186788 u |
| Formula | C19H19ClO4 |
| InChI | InChI=1S/C19H19ClO4/c1-2-3-4-12-23-18(21)14-8-10-15(11-9-14)19(22)24-17-7-5-6-16(20)13-17/h5-11,13H,2-4,12H2,1H3 |
| InChIKey | AXENEGRPAHEPSW-UHFFFAOYSA-N |
| Molecular Weight | 346.810 g/mol |
| SMILES | CCCCCOC(C1=CC=C(C=C1)C(OC=1C=CC=C(C1)Cl)=O)=O |