| SpectraBase Compound ID | 2OSbFazu1gp |
|---|---|
| InChI | InChI=1S/C17H15ClO4/c1-3-21-16(19)12-5-4-6-13(10-12)17(20)22-15-8-7-14(18)9-11(15)2/h4-10H,3H2,1-2H3 |
| InChIKey | HQNVRKYWKQHTIP-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 | HiIlx92rYcV |
|---|---|
| Name | Isophthalic acid, 4-chloro-2-methylphenyl ethyl 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/c1-3-21-16(19)12-5-4-6-13(10-12)17(20)22-15-8-7-14(18)9-11(15)2/h4-10H,3H2,1-2H3 |
| InChIKey | HQNVRKYWKQHTIP-UHFFFAOYSA-N |
| Molecular Weight | 318.756 g/mol |
| SMILES | C1(=CC(=CC=C1)C(OC=1C(C)=CC(=CC1)Cl)=O)C(OCC)=O |