| SpectraBase Compound ID | 3Ql7nV9pVQz |
|---|---|
| InChI | InChI=1S/C17H15ClO4/c1-3-21-16(19)13-6-4-5-7-14(13)17(20)22-12-8-9-15(18)11(2)10-12/h4-10H,3H2,1-2H3 |
| InChIKey | LCARADWCHXHVKI-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 | 3qafnk3MJiL |
|---|---|
| Name | Phthalic acid, 4-chloro-3-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)13-6-4-5-7-14(13)17(20)22-12-8-9-15(18)11(2)10-12/h4-10H,3H2,1-2H3 |
| InChIKey | LCARADWCHXHVKI-UHFFFAOYSA-N |
| Molecular Weight | 318.756 g/mol |
| SMILES | C(C1=C(C(=O)OCC)C=CC=C1)(OC1=CC=C(C(C)=C1)Cl)=O |