| SpectraBase Compound ID | 2rCtH7OTV5m |
|---|---|
| InChI | InChI=1S/C17H15ClO4/c1-2-10-21-16(19)12-6-8-13(9-7-12)17(20)22-15-5-3-4-14(18)11-15/h3-9,11H,2,10H2,1H3 |
| InChIKey | DOXZWZIKOMWIRM-UHFFFAOYSA-N |
| Mol Weight | 318.76 g/mol |
| Molecular Formula | C17H15ClO4 |
| Exact Mass | 318.065887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJT1XvStvYo |
|---|---|
| Name | Terephthalic acid, 3-chlorophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.065886659 u |
| Formula | C17H15ClO4 |
| InChI | InChI=1S/C17H15ClO4/c1-2-10-21-16(19)12-6-8-13(9-7-12)17(20)22-15-5-3-4-14(18)11-15/h3-9,11H,2,10H2,1H3 |
| InChIKey | DOXZWZIKOMWIRM-UHFFFAOYSA-N |
| Molecular Weight | 318.756 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCC)=O)C(OC1=CC(=CC=C1)Cl)=O |