| SpectraBase Compound ID | 2AEG69S0dOl |
|---|---|
| InChI | InChI=1S/C20H13ClO3/c21-19(22)15-9-6-10-16(13-15)20(23)24-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13H |
| InChIKey | QDHKTUJFUZDDEA-UHFFFAOYSA-N |
| Mol Weight | 336.77 g/mol |
| Molecular Formula | C20H13ClO3 |
| Exact Mass | 336.055322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8eTl4xG7aWP |
|---|---|
| Name | Isophthalic acid, monochloride, 2-biphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.055321976 u |
| Formula | C20H13ClO3 |
| InChI | InChI=1S/C20H13ClO3/c21-19(22)15-9-6-10-16(13-15)20(23)24-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13H |
| InChIKey | QDHKTUJFUZDDEA-UHFFFAOYSA-N |
| Molecular Weight | 336.774 g/mol |
| SMILES | C1=CC(=CC(=C1)C(OC1=CC=CC=C1C1=CC=CC=C1)=O)C(Cl)=O |